Author: "Institute of Physical Chemistry" / Search Limiters: Available in Library Collection - Searchworks@Jio Institute Digital Library Search Results

Your search keyword '"Institute of Physical Chemistry"' showing total 4,146 results

Start Over Author "Institute of Physical Chemistry" Search Limiters Available in Library Collection

4,146 results on '"Institute of Physical Chemistry"'

1. Hemimicellization

Author: Gu, Tiren; Laboratory of Surface and Colloid Chemistry, Department of Chemistry and Institute of Physical Chemistry, Peking University, Beijing, Gao, Yueying; Laboratory of Surface and Colloid Chemistry, Department of Chemistry and Institute of Physical Chemistry, Peking University, Beijing, Huang, Zhi; Laboratory of Surface and Colloid Chemistry, Department of Chemistry and Institute of Physical Chemistry, Peking University, Beijing, Gu, Tiren; Laboratory of Surface and Colloid Chemistry, Department of Chemistry and Institute of Physical Chemistry, Peking University, Beijing, Gao, Yueying; Laboratory of Surface and Colloid Chemistry, Department of Chemistry and Institute of Physical Chemistry, Peking University, Beijing, and Huang, Zhi; Laboratory of Surface and Colloid Chemistry, Department of Chemistry and Institute of Physical Chemistry, Peking University, Beijing
Abstract: The literature on surface micellization or hemimicellization of surfactants at oxide/water interface is reviewed briefly. The adsorption model of cationic surfactant at silica/water interface is described, and a recently proposed approach is introduced which allows determination of nhm the average aggregation number of surfactant ions in a hemimicelle from the adsorption isotherm. The thermodynamics of hemimicelle formation is described which also allows to evaluate the nhm, as well as the free energy of hemimicellization from the adsorption of isotherms.
Published: 2015

2. Investigations of molecular diffusion in FCC catalysts

Author: Universität Leipzig, Cepsa Research Center, Picos de Europa, SINTEF Materials and Chemistry, National Technical University of Athens, Grace GmbH & Co. KG, Institute of Chemical Technology, J. Heyrovský Institute of Physical Chemistry, Universität Stuttgart, University of Oslo, Kortunov, Pavel, Vasenkov, Sergey, Kärger, Jörg, Fé Elía, M., Perez, M., Stöcker, Michael, Papadopoulos, George K., Theodoroud, Doros, Drescher, B., McElhiney, Gordon, Bernauer, Bohumil, Krystl, V., Zikánová, Arlette, Jirglová, Hana, Berger, C., Gläser, Roger, Weitkamp, Jens, Hansen, Eddy Walther, Kočiřík, Milan, Universität Leipzig, Cepsa Research Center, Picos de Europa, SINTEF Materials and Chemistry, National Technical University of Athens, Grace GmbH & Co. KG, Institute of Chemical Technology, J. Heyrovský Institute of Physical Chemistry, Universität Stuttgart, University of Oslo, Kortunov, Pavel, Vasenkov, Sergey, Kärger, Jörg, Fé Elía, M., Perez, M., Stöcker, Michael, Papadopoulos, George K., Theodoroud, Doros, Drescher, B., McElhiney, Gordon, Bernauer, Bohumil, Krystl, V., Zikánová, Arlette, Jirglová, Hana, Berger, C., Gläser, Roger, Weitkamp, Jens, Hansen, Eddy Walther, and Kočiřík, Milan
Published: 2016

3. Adsorption and self-diffusion of water and benzene molecules adsorbed in synthetic opal samples

Author: Institute of Physical Chemistry of RAS, Universität Leipzig, Vartapetian, Ruben, Khozina, Elena, Bardyshev, Ivan, Institute of Physical Chemistry of RAS, Universität Leipzig, Vartapetian, Ruben, Khozina, Elena, and Bardyshev, Ivan
Published: 2016

4. Optimization Of Combined Cellulose-Inorganic Sorbents Obtaining Technology for Radioactive Cesium Concentration

Author: Галиш, Віта Василівна; O.O. Chuiko Institute of Surface Chemistry, National Academy of Sciences of Ukraine, Шахновський, Аркадій Маркусович; NTUU KPI, Картель, Микола Тимофійович; O.O. Chuiko Institute of Surface Chemistry, National Academy of Sciences of Ukraine, Мілютин, Віталій Віталійович; A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Галиш, Віта Василівна; O.O. Chuiko Institute of Surface Chemistry, National Academy of Sciences of Ukraine, Шахновський, Аркадій Маркусович; NTUU KPI, Картель, Микола Тимофійович; O.O. Chuiko Institute of Surface Chemistry, National Academy of Sciences of Ukraine, and Мілютин, Віталій Віталійович; A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences
Abstract: In this article the optimization of the synthesis conditions of combined sorption materials based on cellulose fiber and copper ferrocyanide selective toward radioactive cesium. The influence of the parameters of modification process on the modifier in the bulk of organic carrier content and sorption characteristics of products was investigated. According to the results of mathematical processing of the experimental data the adequate statistical model of the modification of bleached cotton fiber with the solutions of copper ferrocyanide at different values of pH and temperature of the process were obtained. The optimal values of the technological parameters were determined using Harrington's desirability function. It was shown that the optimum parameters of the modification process allowing to obtain an effective sorbents with the content of copper ferrocyanide 4.37 % in the volume of the carrier, which are characterized by a recovery rate of cesium from aqueous solutions of 95.14 % and the distribution coefficient of 7501 ml/g, are pH 5.4 and temperature 90 °C. However, the optimal specific sorption properties (specific recovery rate of cesium 35.76 %/g and a distribution coefficient 2236 (ml/g)/g) is achieved when the modifier content is 2.71 % in a sorbent which is prepared at pH 7.8 and 90 °C., Статья посвящена оптимизированию условий синтеза селективных к радиоактивному цезию комбинированных поглощающих материалов на основе целлюлозного волокна и ферроцианида меди. Исследовано влияние параметров модифицирования волокна на содержание модификатора в объеме органического носителя и на сорбционные характеристики продуктов. По результатам математической обработки экспериментальных данных получены адекватные статистические модели процесса модифицирования беленого хлопкового волокна растворами ферроцианида меди при разных значениях рН среды и температуры процесса. Определены оптимальные значения технологических параметров процесса с использованием функции желательности Харрингтона. Показано, что оптимальными параметрами процесса модифицирования, обеспечивающими получение эффективных сорбентов с содержанием ферроцианида меди в объеме носителя 4,37 %, которые характеризуются степенью извлечения цезия из водных растворов 95,14 % и коэффициентом распределения 7501 мл/г, является рН среды 5,4 и температура 90 °С. Однако оптимальные удельные сорбционные свойства материалов (удельные степень извлечения цезия 35,76 %/г и коэффициент распределения 2236 (мл/г)/г) достигаются при содержании модификатора в сорбенте 2,71 %, который получают при рН 7,8 и температуре 90 °С., Статтю присвячено оптимізації умов синтезу селективних до радіоактивного цезію комбінованих поглинальних матеріалів на основі целюлозного волокна і фероціаніду міді. Досліджено вплив параметрів модифікування волокна на вміст модифікатора в об’ємі органічного носія і на сорбційні характеристики продуктів. За результатами математичної обробки отриманих експериментальних даних одержано адекватні статистичні моделі процесу модифікування вибіленого бавовняного волокна розчинами фероціаніду міді при різних значеннях рН середовища та температури процесу. Визначено оптимальні значення технологічних параметрів процесу з використанням функції бажаності Харрінгтона. Показано, що оптимальними параметрами процесу модифікування, що забезпечують одержання ефективних сорбентів з вмістом фероціаніду міді в об’ємі носія 4,37 %, які характеризуються ступенем вилучення цезію з водних розчинів 95,14 % та коефіцієнтом розподілення 7501 мл/г, є рН середовища 5,4 та температура 90 °С. Однак оптимальні питомі сорбційні властивості сорбентів (питомі ступінь вилучення цезію 35,76 %/г та коефіцієнт розподілення 2236 (мл/г)/г) досягаються при вмісті модифікатора в сорбенті 2,71 %, який одержують при рН 7,8 та температурі 90 °С.
Published: 2015

5. Helium permeation through mixed matrix membranes based on polyimides and silicalite-1

Author: J. Heyrovský Institute of Physical Chemistry of ASCR, 2Institute of Chemical Technology, Technická 3, Institute of Chemical Process Fundamentals of ASCR, Universität Leipzig, Fryčová, Marie, Sysel, Petr, Hrabánek, Pavel, Kočiřík, Milan, Brabec, Libor, Zikánová, Arlette, Bernauer, Bohumil, Pavel Čapek, Pavel, Hejtmánek, Vladimír, J. Heyrovský Institute of Physical Chemistry of ASCR, 2Institute of Chemical Technology, Technická 3, Institute of Chemical Process Fundamentals of ASCR, Universität Leipzig, Fryčová, Marie, Sysel, Petr, Hrabánek, Pavel, Kočiřík, Milan, Brabec, Libor, Zikánová, Arlette, Bernauer, Bohumil, Pavel Čapek, Pavel, and Hejtmánek, Vladimír
Abstract: Mixed matrix membranes based on modified polyimides and silicalite-1 were prepared and studied. The novel preparation approach consists in improvement of the interfacial adhesion by employment of the coupling agent 3-aminopropyltriethoxysilane in such a way which leads to forming of chemical bonds between polyimide and silicalite-1. Firstly polyimide chains were endcapped by this agent which subsequently enabled their reaction with groups naturally present on silicalite-1 surface. Membranes with silicalite-1 content up to 60 wt. % were prepared and characterized by SEM, light microscopy and permeation of gases, prevailingly of He. The accessibility of sililicalite-1 pores prior to embedding and after embedding into polymeric matrices was studied by an iodine indicator technique. The permeability of membranes for gases was measured using a semi-open permeation apparatus with a small volume. Helium permeability depended on filler content and increased monotonously with the increasing content of filler. There were, however, significant deviations of the permeability dependences on filler content from shapes predicted by Bruggeman’s model. The qualitative explanation of the data disagreement with the model was proposed based on a stratification of mixed matrix membranes found by SEM.
Published: 2015

6. Simulation of N 2/CH 4 counter-diffusion in composite membranes of the type silicalite-1- alpha-alumina: Simulation of N 2/CH 4 counter-diffusion in composite membranes ofthe type silicalite-1- alpha-alumina

Author: Institute of Chemical Technology, J. Heyrovský Institute of Physical Chemistry of ASCR, Universität Leipzig, Fila, Vlastimil, Kočiřík, Milan, Hrabánek, Pavel, Zikánová, Arlette, Brabec, Libor, Bernauer, Bohumil, Institute of Chemical Technology, J. Heyrovský Institute of Physical Chemistry of ASCR, Universität Leipzig, Fila, Vlastimil, Kočiřík, Milan, Hrabánek, Pavel, Zikánová, Arlette, Brabec, Libor, and Bernauer, Bohumil
Published: 2015

7. 3D stochastic replicas of porous solids: a way to improve predicted diffusivity

Author: Institute of Chemical Technology, Prague, Institute of Chemical Process Fundamentals of ASCR, J. Heyrovský Institute of Physical Chemistry of ASCR, Universität Leipzig, Čapek, Pavel, Hejtmánek, Vladimír, Brabec, Libor, Zikánová, Arlette, Kočiřík, Milan, Bernauer, Bohumil, Institute of Chemical Technology, Prague, Institute of Chemical Process Fundamentals of ASCR, J. Heyrovský Institute of Physical Chemistry of ASCR, Universität Leipzig, Čapek, Pavel, Hejtmánek, Vladimír, Brabec, Libor, Zikánová, Arlette, Kočiřík, Milan, and Bernauer, Bohumil
Published: 2015

8. Hexane self-diffusion in bed of glass spheres: testing applicability range of the pore-hopping model

Author: Charles University in Prague, J. Heyrovský Institute of Physical Chemistry of ASCR, Universität Leipzig, Peksa, Mikuláš, Lang, Jan, Kočiřík, Milan, Charles University in Prague, J. Heyrovský Institute of Physical Chemistry of ASCR, Universität Leipzig, Peksa, Mikuláš, Lang, Jan, and Kočiřík, Milan
Published: 2015

9. Helium permeation through mixed matrix membranes based on polyimides and silicalite-1

Author: 1J. Heyrovský Institute of Physical Chemistry of ASCR, Institute of Chemical Technology, Technická, 3Institute of Chemical Process Fundamentals of ASCR, Universität Leipzig, Fryčová, Marie, Sysel, Petr, Hrabánek, Pavel, Kočiřík, Milan, Brabec, Libor, Zikánová, Arlette, Bernauer, Bohumil, Čapek, Pavel, Hejtmánek, Vladimír, 1J. Heyrovský Institute of Physical Chemistry of ASCR, Institute of Chemical Technology, Technická, 3Institute of Chemical Process Fundamentals of ASCR, Universität Leipzig, Fryčová, Marie, Sysel, Petr, Hrabánek, Pavel, Kočiřík, Milan, Brabec, Libor, Zikánová, Arlette, Bernauer, Bohumil, Čapek, Pavel, and Hejtmánek, Vladimír
Published: 2015

10. 3D stochastic replicas of porous solids: a way to improve predicted diffusivity

Author: Institute of Chemical Process Fundamentals of ASCR, Institute of Chemical Technology, J. Heyrovský Institute of Physical Chemistry of ASCR, Universität Leipzig, Hejtmánek, Vladimír, Čapek, Pavel, Brabec, Libor, Zikánová, Arlette, Kočiřík, Milan, Bernauer, Bohumil, Institute of Chemical Process Fundamentals of ASCR, Institute of Chemical Technology, J. Heyrovský Institute of Physical Chemistry of ASCR, Universität Leipzig, Hejtmánek, Vladimír, Čapek, Pavel, Brabec, Libor, Zikánová, Arlette, Kočiřík, Milan, and Bernauer, Bohumil
Abstract: The goal of our contribution was to develop a method providing morphological (microstructural) descriptors whose values would match total porosity and specific surface obtained other independent methods. The model obtained from limited amount of statistical information, accessible by image analysis of cross-sections, offers an attractive way for the prediction of equilibrium and transport phenomena in natural and man-made macroporous media.
Published: 2015

11. PFG NMR study of liquid n-hexane self-diffusion in the bed of porous glass beads

Author: Charles University in Prague, 2J. Heyrovský Institute of Physical Chemistry of ASCR, Universität Leipzig, Peksa, Mikuláš, Lang, Jan, Kočiřík, Milan, Charles University in Prague, 2J. Heyrovský Institute of Physical Chemistry of ASCR, Universität Leipzig, Peksa, Mikuláš, Lang, Jan, and Kočiřík, Milan
Published: 2015

12. Transition metal complexes : from sunlight photoconversion to DNA photoprobes

Author: UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, Elias, Benjamin, Institute for Physical Chemistry, Friederich Schiller University Jena, UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity, Elias, Benjamin, and Institute for Physical Chemistry, Friederich Schiller University Jena
Published: 2013

13. Ammonia and Fantasio: The near-infrared spectrum of jet cooled ammonia

Author: F.R.S.-FNRS contact group for High Resolution Molecular Spectroscopy (2013-03-08: Institute of Physical Chemistry, Molecular Spectroscopy Research Unit, Landoltweg 2, 52062 Aachen, Germany), Foldes, Tomas, Didriche, Keevin, Vanfleteren, Thomas, Herman, Michel, F.R.S.-FNRS contact group for High Resolution Molecular Spectroscopy (2013-03-08: Institute of Physical Chemistry, Molecular Spectroscopy Research Unit, Landoltweg 2, 52062 Aachen, Germany), Foldes, Tomas, Didriche, Keevin, Vanfleteren, Thomas, and Herman, Michel
Abstract: info:eu-repo/semantics/nonPublished
Published: 2013

14. Modeling of Mutual Anion-Cation Neutralization Processes

Author: GOETTINGEN UNIV (GERMANY) INSTITUTE FOR PHYSICAL CHEMISTRY, Troe, Juergen H, GOETTINGEN UNIV (GERMANY) INSTITUTE FOR PHYSICAL CHEMISTRY, and Troe, Juergen H
Abstract: This report results from a contract tasking Laser-Laboratorium Gottingen (LLG) as follows: The Grantee investigated the basic processes in the dynamics of electron-catalyzed mutual neutralization of plasmas. He has arrived at a better quantitative understanding of the rates of 'normal' neutralization processes (1) and the energy partitioning in them. Additionally he compared various options for a theoretical understanding of the electron-catalyzed process (2) and has furthered the most probable explanations., The original document contains color images. Grant no. 10-3057
Published: 2011

15. FEM simulation of a sono-reactor accounting for vibrations of the boundaries

Author: Universidad de Alicante. Departamento de Química Física, Centre RAPSODEE, Academy of Sciences of the Czech Republic. J. Herovsky Institute of Physical Chemistry, Universidad de Santiago de Chile. Laboratorio de Ultrasonidos, Louisnard, Olivier, González García, José, Tudela Montes, Ignacio, Klima, Jiri, Sáez Bernal, Verónica, Vargas Hernández, Yolanda, Universidad de Alicante. Departamento de Química Física, Centre RAPSODEE, Academy of Sciences of the Czech Republic. J. Herovsky Institute of Physical Chemistry, Universidad de Santiago de Chile. Laboratorio de Ultrasonidos, Louisnard, Olivier, González García, José, Tudela Montes, Ignacio, Klima, Jiri, Sáez Bernal, Verónica, and Vargas Hernández, Yolanda
Abstract: The chemical effects of acoustic cavitation are obtained in sono-reactors built-up from a vessel and an ultrasonic source. In this paper, simulations of an existing sono-reactor are carried out, using a linear acoustics model, accounting for the vibrations of the solid walls. The available frequency range of the generator (19 kHz-21 kHz) is systematically scanned. Global quantities are plotted as a function of frequency in order to obtain response curves, exhibiting several resonance peaks. The attenuation coefficient of the wave is taken as a variable parameter, in absence of the precise knowledge of the bubble size distribution, and its influence is studied. The concepts of acoustic energy, intensity and active power are recalled, along with the general balance equation for acoustic energy. The latter is used as a convergence check of the simulations. Finally, it is shown that the interface between the liquid and the solid walls cannot be correctly represented by the simple approximations of either infinitely soft, or infinitely hard boundaries. Moreover, the liquid-solid coupling allows the cooling jacket to receive a noticeable part of the input power, although it is not in direct contact with the sonotrode. It may therefore undergo cavitation and this feature opens the perspective to design sono-reactors which avoid direct contact between the working liquid and the sonotrode. Besides, the possibility to shift the main pressure antinode far from the sonotrode area by exciting a resonance of the system is examined.
Published: 2009

16. Commercial developments of nano-crystalline diamond - Two prototypes as case studies

Author: Medical University of Innsbruck - Department for Cranio-Maxillofacial and Oral Surgery, UCL - FSA/ELEC - Département d'électricité, rho-BeSt coating Hartstoffbeschichtungs GmbH, Leopold-Franzens University of Innsbruck - Institute of Physical Chemistry, Kloss, F.R., Francis, Laurent, Sternschulte, H., Klauser, F., Gassner, R., Rasse, M., Bertel, E., Steinmüller-Nethl, D., Medical University of Innsbruck - Department for Cranio-Maxillofacial and Oral Surgery, UCL - FSA/ELEC - Département d'électricité, rho-BeSt coating Hartstoffbeschichtungs GmbH, Leopold-Franzens University of Innsbruck - Institute of Physical Chemistry, Kloss, F.R., Francis, Laurent, Sternschulte, H., Klauser, F., Gassner, R., Rasse, M., Bertel, E., and Steinmüller-Nethl, D.
Abstract: Novel technologies for synthesis of nano-crystalline diamond (NCD) enable industrial production allowing large area deposition on a variety of substrate materials - at reasonable price. New perspectives for future innovative products emerge demonstrated by two case studies in the field of micro electro-mechanical systems (MEMS) sensors (case a) and medical implant devices (case b). a) This study comes as a preliminary step towards the integration of NCD thin film membranes in gravimetric sensors with low detection limits. We investigate theoretically and experimentally the mass sensing characteristics of composite thin Film Bulk Acoustic Resonator (FBAR) as a function of the side exposed to a mass perturbation. b) The aim of this study was to demonstrate the influence of different surface terminations of NCD on surface potentials and subsequently its influence on in vivo connective tissue healing. NCD-coated implants were evaluated by X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM)-surface potential measurements. After in vivo integration of the NCD-membranes into the subdermal layer of Wistar rats and subsequent histological evaluation it was demonstrated that the number of cells increased significantly at the O-terminated NCD and the scar tissue formed was less tight. Thus, a promising technique for controlling connective tissue adhesion in vivo is presented. © 2008 Elsevier B.V. All rights reserved.
Published: 2008

17. Photoinduced electron transfer in triazole-bridged donor-acceptor dyads – A critical perspective

Author: Müller, Caroline, Bold, Sébastian, Chavarot‐kerlidou, Murielle, Dietzek-Ivanšić, Benjamin, Institute of Physical Chemistry, Friedrich Schiller, University Jena, Department Functional Interfaces, Leibniz Institute of Photonic Technology Jena (IPHT), Solar fuels, hydrogen and catalysis (SolHyCat), Laboratoire de Chimie et Biologie des Métaux (LCBM - UMR 5249), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes (UGA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes (UGA), Institute of Physical Chemistry and Center for Energy and Environmental Chemistry Jena, (CEEC- Jena), and ANR-17-EURE-0003,CBH-EUR-GS,CBH-EUR-GS(2017)
Subjects: Electron transfer, Donor -acceptor dyads, Inorganic Chemistry, CLICK chemistry, Triazole linker, Materials Chemistry, [CHIM.COOR]Chemical Sciences/Coordination chemistry, [CHIM.MATE]Chemical Sciences/Material chemistry, [CHIM.CATA]Chemical Sciences/Catalysis, Photocatalysis, Physical and Theoretical Chemistry
Abstract: International audience; In recent years, dyads in which molecular donor and acceptor moieties are chemically linked by a bridg-ing ligand have emerged as attractive systems for light-driven catalysis. Their modular structure, control-lable donor-acceptor distance, and their ability to undergo light-driven charge transfer, which is not limited by diffusion, render such systems promising in light-driven charge-transfer reactions and light -driven redox catalysis. Copper-catalyzed alkyne azide cycloaddition (CuAAC) is a particularly popular synthetic strategy for coupling donor and acceptor moieties. This CLICK chemistry approach yields dyads with a 1,2,3-triazole bridging motif. In this review, we discuss the complex role played by this triazole linker to drive electron transfer (eT) in a respective triazole-bridged donor-acceptor dyad upon photoex-citation. We review how structural and electronic properties of the bridge influence charge separation and recombination rates. Furthermore, the role of the triazole bridge energetics in thermal as well as oxidative and reductive photoinduced eT will be discussed. Finally, criteria for the design of dyads with different eT properties are derived
Published: 2022
Full Text: View/download PDF

18. Hydrogen Production at a NiO Photocathode Based on a Ruthenium Dye-Cobalt Diimine Dioxime Catalyst Assembly: Insights from Advanced Spectroscopy and Post-operando Characterization

Author: Didier Gasparutto, Benjamin Dietzek, Alexander Schwab, Murielle Chavarot-Kerlidou, Stephan Kupfer, Didier Léonard, Christine Saint-Pierre, Sebastian Bold, Nicolas Queyriaux, Jakob Bruhnke, Carolin Müller, Emmanouil Giannoudis, Vincent Artero, Dmitry Aldakov, Corinne Gablin, Solar fuels, hydrogen and catalysis (SolHyCat), Laboratoire de Chimie et Biologie des Métaux (LCBM - UMR 5249), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes (UGA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes (UGA), Institute of Physical Chemistry and Abbe Center of Photonics, Friedrich-Schiller-Universität = Friedrich Schiller University Jena [Jena, Germany], Department Functional Interfaces, Leibniz Institute of Photonic Technology Jena (IPHT), Center for Energy and Environmental Chemistry (CEEC Jena), Institut des Sciences Analytiques (ISA), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Synthèse, Structure et Propriétés de Matériaux Fonctionnels (STEP ), SYstèmes Moléculaires et nanoMatériaux pour l’Energie et la Santé (SYMMES), Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes (UGA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Leibniz Institute of Photonic Technology Jena, Department Functional Interfaces, Albert-Einstein-Straße 9, 07745 Jena, Germany, Institute of Physical Chemistry and Center for Energy and Environmental Chemistry Jena, (CEEC- Jena), Surfaces, Centre National de la Recherche Scientifique (CNRS)-Université de Lyon-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Université de Lyon-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon, Institute for Physical Chemistry and Center for Energy and Environmental Chemistry, This work was supported by the European Commission's Seventh Framework Program (FP7/2007-2013) under grant agreement no. 306398 (FP7-IDEAS-ERC, Project PhotocatH2ode), the Deutsche Forschungsgemeinschaft (German Science Foundation, PHOTOACC project, grant no. KU 3933/2-1), and the French National Research Agency in the framework of the 'Investissements d'avenir' program (ANR15-IDEX-02, Labex ARCANE and CBH-EURGS, ANR-17EURE-0003) and the Franco-German University., ANR-11-LABX-0003,ARCANE,Grenoble, une chimie bio-motivée(2011), European Project: 306398,EC:FP7:ERC,ERC-2012-StG_20111012,PHOTOCATH2ODE(2012), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)
Subjects: dye-sensitized, Materials science, Hydrogen, solar fuels, Photoelectrochemistry, chemistry.chemical_element, 02 engineering and technology, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, 010402 general chemistry, Photochemistry, 7. Clean energy, 01 natural sciences, Catalysis, Artificial photosynthesis, photoelectrochemistry, cobalt catalyst, General Materials Science, Hydrogen production, [CHIM.MATE]Chemical Sciences/Material chemistry, [CHIM.CATA]Chemical Sciences/Catalysis, 021001 nanoscience & nanotechnology, Solar fuel, 0104 chemical sciences, Ruthenium, chemistry, 13. Climate action, hydrogen, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], Water splitting, 0210 nano-technology, [CHIM.OTHE]Chemical Sciences/Other
Abstract: International audience; The production of hydrogen by efficient, low-cost, and integrated photoelectrochemical water splitting processes represents an important target for the ecological transition. This challenge can be addressed thanks to bioinspired chemistry and artificial photosynthesis approaches by designing dye-sensitized photocathodes for hydrogen production, incorporating bioinspired first-row transition metal-based catalysts. The present work r describes the preparation and photoelectrochemical characterization of a NiO photocathode sensitized with a phosphonate-derivatized ruthenium tris-diimine photosensitizer covalently linked to a cobalt diimine dioxime hydrogen-evolving catalyst. Under simulated AM 1.5G irradiation, hydrogen is produced with photocurrent densities reaching 84 +/- 7 mu A.cm(-2), which is among the highest values reported so far for dye-sensitized photocathodes with surface-immobilized catalysts. Thanks to the unique combination of advanced spectroscopy and surface characterization techniques, the fast desorption of the dyad from the NiO electrode and the low yield of electron transfer to the catalyst, resulting in the Co demetallation from the diimine dioxime framework, were identified as the main barriers limiting the performances and the stability of the system. This work therefore paves the way for a more rational design of molecular photocathodes for solar fuel production and represents a further step toward the development of sustainable processes for the production of hydrogen from sunlight and water.
Published: 2021
Full Text: View/download PDF

19. High-Resolution Study of thev5= 1 Level of CDF3

Author: Pracna, P., Sarka, K., Demaison, J., Cosléou, J., Herlemont, F., Khelkhal, M., Fichoux, H., Papoušek, D., Paplewski, M., and Bürger, H.
Published: 1997
Full Text: View/download PDF

20. Catalyst Preparation Variables That Affect the Creation of Active Sites for HDS on Co/Mo/Al2O3Catalytic Materials

Author: Adachi, Michiaki, Contescu, Cristian, and Schwarz, James A
Published: 1996
Full Text: View/download PDF

21. Roadmap on dynamics of molecules and clusters in the gas phase

Author: Claire Romanzin, Alicja Domaracka, S. D. Tošić, Michael Gatchell, Jaroslav Kočišek, Simon Albertini, Mattea Carmen Castrovilli, Steen Brøndsted Nielsen, Ewa Erdmann, Janina Kopyra, Sylvain Maclot, Daniela Ascenzi, Amanda L. Steber, Klavs Hansen, Marta Łabuda, Christophe Jouvet, Lars H. Andersen, Dariusz G. Piekarski, Manuel Alcamí, Alicia Palacios, Sergio Díaz-Tendero, Henrik Cederquist, Elisabeth Gruber, Lorenzo Avaldi, Paola Bolognesi, Per Johnsson, Yoni Toker, Shirin Faraji, Oded Heber, Annemieke Petrignani, Christina Kjær, A. Candian, Aleksandar R. Milosavljević, Jennifer A. Noble, Paulo Limão-Vieira, Patrick Rousseau, Henning T. Schmidt, Eduardo Carrascosa, Juraj Fedor, Denis S. Tikhonov, Thomas Schlathölter, James N. Bull, Sadia Bari, Henning Zettergren, Department of Physics [Stockholm], Stockholm University, Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Zernike Institute for Advanced Materials, University of Groningen [Groningen], Istituto di Struttura della Materia (CNR-ISM), National Research Council of Italy | Consiglio Nazionale delle Ricerche (CNR), Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, 28049 Madrid (Spain), Department of Theoretical Physics and Quantum Information (DTPQI), ‎ Gdansk University of technology, Institute of Physics [Belgrade], University of Belgrade [Belgrade], Department of Physics (Göthenburg), University of Gothenburg (GU), Department of Physics, Mathematical Physics [Lund], Lund University [Lund], Deutsches Elektronen-Synchrotron [Hamburg] (DESY), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Departamento de Química, Modulo 13, Universidad Autónoma de Madrid, Universidad Autónoma de Madrid (UAM), Institute of Physical Chemistry [Warsaw], Polish Academy of Sciences, Department III, Normandie Université (NU), Department of Physics (DPUT), University of Trento [Trento], Institut de Chimie Physique (ICP), Institut de Chimie du CNRS (INC)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Siedlce University of Natural Sciences and Humanities, Centro de Física e Investigação Tecnológica [Lisboa] (CEFITEC), Departamento de Fìsica [Lisboa] (DF), Faculdade de Ciências e Tecnologia = School of Science & Technology (FCT NOVA), Universidade Nova de Lisboa = NOVA University Lisbon (NOVA)-Universidade Nova de Lisboa = NOVA University Lisbon (NOVA)-Faculdade de Ciências e Tecnologia = School of Science & Technology (FCT NOVA), Universidade Nova de Lisboa = NOVA University Lisbon (NOVA)-Universidade Nova de Lisboa = NOVA University Lisbon (NOVA), J. Heyrovský Institute of Physical Chemistry of the ASCR, Czech Academy of Sciences [Prague] (CAS), Institut für Ionenphysik und Angewandte Physik - Institute for Ion Physics and Applied Physics [Innsbruck], Leopold Franzens Universität Innsbruck - University of Innsbruck, Department of Physics and Astronomy [Aarhus], Aarhus University [Aarhus], Department of Particle Physics, Weizmann Institute of Science, Ajo, Bar-Ilan University [Israël], Tianjin University of Science and Technology (TUST), Physique des interactions ioniques et moléculaires (PIIM), Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS), Ecole Polytechnique Fédérale de Lausanne (EPFL), University of East Anglia [Norwich] (UEA), van ‘t Hoff Institute for Molecular Sciences, Universiteit van Amsterdam (UvA), DF – Departamento de Física, CeFITec – Centro de Física e Investigação Tecnológica, UAM. Departamento de Química, Molecular Processes Modeling Group, Centre National de la Recherche Scientifique (CNRS)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Caen Normandie (UNICAEN), Consiglio Nazionale delle Ricerche [Roma] (CNR), Universidad Autonoma de Madrid (UAM), School of Chemistry, University of East Anglia, Norwich Research Park, Norwich NR4 7TJ, United Kingdom, Van't Hoff Institute for Molecular Sciences, University of Amsterdam [Amsterdam] (UvA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-Aix Marseille Université (AMU), Quantum interactions and structural dynamics, and Theoretical Chemistry
Subjects: ab-initio, Astrochemistry, cold ion spectroscopy, COLD ION SPECTROSCOPY, storage-ring, Clusters in the Gas Phase, Nanotechnology, 02 engineering and technology, Physics, Atomic, Molecular & Chemical, 010402 general chemistry, 01 natural sciences, Gas phase, POLYCYCLIC AROMATIC-HYDROCARBONS, resolved photoelectron-spectroscopy, fragmentation dynamics, Molecule, ddc:530, STORAGE-RING, THERMIONIC EMISSION, AB-INITIO, Physics, polycyclic aromatic-hydrocarbons, Science & Technology, low-energy electrons, LOW-ENERGY ELECTRONS, FRAGMENTATION DYNAMICS, RESOLVED PHOTOELECTRON-SPECTROSCOPY, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Optics, SUPERFLUID-HELIUM DROPLETS, MASS-SPECTROMETRY, Química, mass-spectrometry, 021001 nanoscience & nanotechnology, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Dynamics of Molecules, superfluid-helium droplets, Physical Sciences, thermionic emission, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], 0210 nano-technology
Abstract: The European physical journal / D 75(5), 152 (2021). doi:10.1140/epjd/s10053-021-00155-y, This roadmap article highlights recent advances, challenges and future prospects in studies of the dynamics of molecules and clusters in the gas phase. It comprises nineteen contributions by scientists with leading expertise in complementary experimental and theoretical techniques to probe the dynamics on timescales spanning twenty order of magnitudes, from attoseconds to minutes and beyond, and for systems ranging in complexity from the smallest (diatomic) molecules to clusters and nanoparticles. Combining some of these techniques opens up new avenues to unravel hitherto unexplored reaction pathways and mechanisms, and to establish their significance in, e.g. radiotherapy and radiation damage on the nanoscale, astrophysics, astrochemistry and atmospheric science., Published by Springer, Heidelberg
Published: 2021
Full Text: View/download PDF

22. Mechanochemical Forces as a Synthetic Tool for Zero- and One-Dimensional Titanium Oxide-Based Nano-photocatalysts

Author: Dimitrios A. Giannakoudakis, Juan Carlos Colmenares, Gregory Chatel, Institute of Physical Chemistry Polish Academy of Sciences, Laboratoire de Chimie Moléculaire et Environnement (LCME), Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry]), Institute of Physical Chemistry, Polish Academy of Sciences, and Polska Akademia Nauk = Polish Academy of Sciences (PAN)
Subjects: Solid-state chemistry, Nanotechnology, Review, 02 engineering and technology, 010402 general chemistry, Sonochimie, 01 natural sciences, Catalysis, Nanomaterials, Sonochemistry, chemistry.chemical_compound, Ball milling, Mechanochemistry, Nano, Ultrasound-assisted synthesis, Photocatalyse, [CHIM]Chemical Sciences, Photocatalysis, Synthèse assistée par ultrasons, Titanium, Méchanochimie, General Chemistry, [CHIM.CATA]Chemical Sciences/Catalysis, Photochemical Processes, 021001 nanoscience & nanotechnology, One-dimensional titanium oxide, 0104 chemical sciences, Titanium oxide, chemistry, Titanium dioxide, Nanoparticles, 0210 nano-technology
Abstract: Abstract A new field where the utilization of mechanochemistry can create new opportunities is materials chemistry, and, more interestingly, the synthesis of novel nanomaterials. Ball-milling procedures and ultrasonic techniques can be regarded as the most important mechanochemical synthetic tools, since they can act as attractive alternatives to the conventional methods. It is also feasible for the utilization of mechanochemical forces to act synergistically with the conventional synthesis (as a pre-treatment step, or simultaneously during the synthesis) in order to improve the synthetic process and/or the material’s desired features. The usage of ultrasound irradiation or ball-milling treatment is found to play a crucial role in controlling and enhancing the structural, morphological, optical, and surface chemistry features that are important for heterogeneous photocatalytic practices. The focus of this article is to collect all the available examples in which the utilization of sonochemistry or ball milling had unique effects as a synthesis tool towards zero- or one-dimensional nanostructures of a semiconductor which is assumed as a benchmark in photocatalysis, titanium dioxide. Graphical Abstract
Published: 2020
Full Text: View/download PDF

23. Impact of biogenic very short-lived bromine on the Antarctic ozone hole during the 21st century

Author: Saiz-Lopez, Alfonso [Institute of Physical Chemistry Rocasolano, Madrid (Spain)]
Published: 2017
Full Text: View/download PDF

24. Energy and wave-action flows underlying Rayleigh-Jeans thermalization of optical waves propagating in a multimode fiber

Author: Katarzyna Krupa, Iacopo Carusotto, Antonio Picozzi, Guy Millot, Nicolas Berti, Josselin Garnier, Sergio Rica, K. Baudin, Adrien Fusaro, Centre de Mathématiques Appliquées - Ecole Polytechnique (CMAP), École polytechnique (X)-Centre National de la Recherche Scientifique (CNRS), Analyse d’interactions stochastiques intelligentes et coopératives (ASCII), École polytechnique (X)-Centre National de la Recherche Scientifique (CNRS)-École polytechnique (X)-Centre National de la Recherche Scientifique (CNRS)-Inria Saclay - Ile de France, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria), Laboratoire Interdisciplinaire Carnot de Bourgogne [Dijon] (LICB), Université de Bourgogne (UB)-Université de Technologie de Belfort-Montbeliard (UTBM)-Centre National de la Recherche Scientifique (CNRS), ANR-19-CE46-0007,ICCI,Caracterisation des ondes incoherentes pour l'imagerie par correlations croisees(2019), Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB), Université de Technologie de Belfort-Montbeliard (UTBM)-Université de Bourgogne (UB)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Détection et de Géophysique (CEA) (LDG), DAM Île-de-France (DAM/DIF), Direction des Applications Militaires (DAM), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction des Applications Militaires (DAM), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Institute of Physical Chemistry, Polish Academy of Sciences, (Institute of Physical Chemistry,), INO-CNR BEC Center and Dipartimento di Fisica, Università degli Studi di Trento (UNITN), Universidad Adolfo Ibáñez [Santiago], Institut Universitaire de France (IUF), and Ministère de l'Education nationale, de l’Enseignement supérieur et de la Recherche (M.E.N.E.S.R.)
Subjects: [PHYS]Physics [physics], Physics, Multi-mode optical fiber, Thermodynamic equilibrium, General Physics and Astronomy, FOS: Physical sciences, [MATH.MATH-PR]Mathematics [math]/Probability [math.PR], symbols.namesake, Thermalisation, Singularity, [MATH.MATH-ST]Mathematics [math]/Statistics [math.ST], Energy flow, Quantum electrodynamics, Wind wave, symbols, [MATH.MATH-AP]Mathematics [math]/Analysis of PDEs [math.AP], Rayleigh scattering, Negative temperature, ComputingMilieux_MISCELLANEOUS, Physics - Optics, Optics (physics.optics)
Abstract: The wave turbulence theory predicts that a conservative system of nonlinear waves can exhibit a process of condensation, which originates in the singularity of the Rayleigh-Jeans equilibrium distribution of classical waves. Considering light propagation in a multimode fiber, we show that light condensation is driven by an energy flow toward the higher-order modes, and a bi-directional redistribution of the wave-action (or power) to the fundamental mode and to higher-order modes. The analysis of the near-field intensity distribution provides experimental evidence of this mechanism. The kinetic equation also shows that the wave-action and energy flows can be inverted through a thermalization toward a negative temperature equilibrium state, in which the high-order modes are more populated than low-order modes. In addition, a Bogoliubov stability analysis reveals that the condensate state is stable., Comment: 3 figures
Published: 2020
Full Text: View/download PDF

25. Structure of Ni(OH) 2 intermediates determines the efficiency of NiO-based photocathodes – a case study using novel mesoporous NiO nanostars

Author: Markus Rettenmayr, Christa Schmidt, Vincent Artero, Jan Dellith, Jennifer Fize, Ruri Agung Wahyuono, Murielle Chavarot-Kerlidou, Benjamin Dietzek, Andrea Dellith, Anna Ignaszak, Martin Seyring, Leibniz Institute of Photonic Technology Jena, Department Functional Interfaces, Albert-Einstein-Straße 9, 07745 Jena, Germany, Institute of Physical Chemistry and Abbe Center of Photonics, Friedrich-Schiller-Universität = Friedrich Schiller University Jena [Jena, Germany], Department of Chemistry, University of New Brunswick, Otto-Schott-Institute of Materials Research (OSIM), Solar fuels, hydrogen and catalysis (SolHyCat ), Laboratoire de Chimie et Biologie des Métaux (LCBM - UMR 5249), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), Center for Energy and Environmental Chemistry (CEEC Jena), Institute of Physical Chemistry, Abbe Center of Photonics, Friedrich-Schiller-Universität Jena, Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), and Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG)
Subjects: chemistry.chemical_classification, Photocurrent, Materials science, Band gap, General Chemical Engineering, Non-blocking I/O, Nanoparticle, [CHIM.MATE]Chemical Sciences/Material chemistry, 02 engineering and technology, General Chemistry, Electron acceptor, 010402 general chemistry, 021001 nanoscience & nanotechnology, Photochemistry, 01 natural sciences, Photocathode, 0104 chemical sciences, chemistry, Specific surface area, [CHIM.COOR]Chemical Sciences/Coordination chemistry, 0210 nano-technology, Mesoporous material
Abstract: International audience; We report the wet chemical synthesis of mesoporous NiO nanostars (NS) as photocathode material for dye-sensitized solar cells (DSSCs). The growth mechanism of NiO NS as a new morphology of NiO is assessed by TEM and spectroscopic investigations. The NiO NS are obtained upon annealing of preformed beta-Ni(OH)(2) into pristine NiO with low defect concentrations and favorable electronic configuration for dye sensitization. The NiO NS consist of fibers self-assembled from nanoparticles yielding a specific surface area of 44.9 m(2) g(-1). They possess a band gap of 3.83 eV and can be sensitized by molecular photosensitizers bearing a range of anchoring groups, e.g. carboxylic acid, phosphonic acid, and pyridine. The performance of NiO NS-based photocathodes in photoelectrochemical application is compared to that of other NiO morphologies, i.e. nanoparticles and nanoflakes, under identical conditions. Sensitization of NiO NS with the benchmark organic dye P1 leads to p-DSSCs with a high photocurrent up to 3.91 mA cm(-2) whilst the photoelectrochemical activity of the NiO NS photocathode in aqueous medium in the presence of an irreversible electron acceptor is reflected by generation of a photocurrent up to 23 mu A cm(-2).
Published: 2019
Full Text: View/download PDF

26. Investigating Light-Driven Hole Injection and Hydrogen EvolutionCatalysis at Dye-Sensitized NiO Photocathodes: A CombinedExperimental−Theoretical Study

Author: Murielle Chavarot-Kerlidou, Julien Massin, Vincent Artero, Michele Pavone, Sebastian Bold, Maximilian Bräutigam, Benjamin Dietzek, Maria Wächtler, Ana B. Muñoz-García, Solar fuels, hydrogen and catalysis (SolHyCat ), Laboratoire de Chimie et Biologie des Métaux (LCBM - UMR 5249), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), Institute of Physical Chemistry and Abbe Center of Photonics, Friedrich-Schiller-Universität = Friedrich Schiller University Jena [Jena, Germany], Leibniz Institute of Photonic Technology Jena, Department Functional Interfaces, Albert-Einstein-Straße 9, 07745 Jena, Germany, Department of Chemical Sciences, University of Naples Federico II, Dipartimento di Fisica 'Ettore Pancini', Università degli studi di Napoli Federico II, Institute for Physical Chemistry and Center for Energy and Environmental Chemistry, Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), University of Naples Federico II = Università degli studi di Napoli Federico II, ANR-17-EURE-0003,CBH-EUR-GS,CBH-EUR-GS(2017), Massin, J., Brautigam, M., Bold, S., Wachtler, M., Pavone, M., Munoz-Garcia, A. B., Dietzek, B., Artero, V., and Chavarot-Kerlidou, M.
Subjects: Materials science, 02 engineering and technology, 010402 general chemistry, 7. Clean energy, 01 natural sciences, Quantum chemistry, Photocathode, Catalysis, Metal, Electron transfer, Ultrafast laser spectroscopy, Physical and Theoretical Chemistry, business.industry, Non-blocking I/O, [CHIM.CATA]Chemical Sciences/Catalysis, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Solar energy, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, General Energy, visual_art, visual_art.visual_art_medium, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], Optoelectronics, 0210 nano-technology, business
Abstract: International audience; Dye-sensitized photoelectrochemical cells form an emerging technology for the large-scale storage of solar energy in the form of (solar) fuels because of the low cost and easy processing of their constitutive photoelectrode materials. Such hybrid photoelectrodes consist of molecular dyes grafted onto transparent semiconducting metal oxides in combination with catalytic centers. The optimization of the performances of such hybrid photoelectrodes requires a detailed understanding of the light-driven electron transfer processes occurring first at the interface between the semiconducting material and the dye and then between the dye and the catalytic center. Here we address the first of these issues and use quantum chemistry to determine the structural and electronic features of the interfaces between a push-pull dye and the p-NiO (100) surface. We show that these calculations are in good agreement with transient absorption spectroscopic measurements on a prototypical dye-sensitized photocathode system able to evolve hydrogen in the presence of a cobaloxime catalyst in solution.
Published: 2019
Full Text: View/download PDF

27. Effect of insoluble surfactants on a thermocapillary flow

Author: Pierre Lambert, Aude Bolopion, Franco Nicolas Pinan Basualdo, Benoit Scheid, Michaël Gauthier, R. Terrazas Mallea, Franche-Comté Électronique Mécanique, Thermique et Optique - Sciences et Technologies (UMR 6174) (FEMTO-ST), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS), Institute of Physical Chemistry, Polish Academy of Sciences, (Institute of Physical Chemistry,), Université libre de Bruxelles (ULB), and Department of Bio, Electro And Mechanical Systems (BEAMS)
Subjects: Work (thermodynamics), Mécanique des fluides, [INFO.INFO-DS]Computer Science [cs]/Data Structures and Algorithms [cs.DS], Microfluidics, Flow (psychology), Computational Mechanics, 02 engineering and technology, Sciences de l'ingénieur, 01 natural sciences, [SPI.AUTO]Engineering Sciences [physics]/Automatic, 010305 fluids & plasmas, Physics::Fluid Dynamics, Particle tracking velocimetry, 0103 physical sciences, Miniaturization, Convection cell, Fluid Flow and Transfer Processes, Physics, Mechanical Engineering, Mechanics, Radius, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Temperature gradient, Mechanics of Materials, 0210 nano-technology
Abstract: International audience; The thermocapillary effect, arising flow due to a temperature gradient along a fluid interface, is the dominant effect in some industrial and microfluidics processes and must be studied in order to optimise them. In this work, we analyse how insoluble surfactants adsorbed at the interface can affect such a flow. In particular, we analyse the case where the thermocapillary flow is induced at the air-water interface by locally heating it with an infrared laser, setup that is used to manipulate floating particles through the generated flow. Since water is a polar fluid, the air-water interface is easily polluted by surfactants. We developed a numerical model considering the uncontrolled presence of surfactants, which evidences that the effect of the surface contamination cannot be neglected, even for small surfactants concentration. The results of this numerical model were compared with different experimental measurements: particle tracking velocimetry, convection cell radius measurements and thermography of the surface. All the experimental observations agree with the numerical model with the initial surface contamination being a fitting parameter. The model was then validated comparing its results with measurements for which a known quantity of surfactant was added to the interface. Finally, an analytical model was developed to explain the effects of the governing parameters, which agrees with the simulations and the experimental results. The developed models give us insights towards the miniaturization of the manipulation platform
Published: 2021
Full Text: View/download PDF

28. An artificial photosynthetic system for photoaccumulation of two electrons on a fused dipyridophenazine (dppz)-pyridoquinolinone ligand

Author: Isabelle Baussanne, Vincent Artero, Jean-Marie Mouesca, Jean-François Lefebvre, Martine Demeunynck, Ying Zhang, Serge Gambarelli, Philipp Traber, Stefanie Gräfe, Benjamin Dietzek, Stephan Kupfer, Julian Schindler, Murielle Chavarot-Kerlidou, Laboratoire de Chimie et Biologie des Métaux (LCBM - UMR 5249), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), Département de pharmacochimie moléculaire (DPM ), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), Institute of Physical Chemistry, Abbe Center of Photonics, Friedrich-Schiller-Universität = Friedrich Schiller University Jena [Jena, Germany], Leibniz Institute of Photonic Technology Jena, Department Functional Interfaces, Albert-Einstein-Straße 9, 07745 Jena, Germany, Conception d’Architectures Moléculaires et Processus Electroniques (CAMPE), SYstèmes Moléculaires et nanoMatériaux pour l’Energie et la Santé (SYMMES), Institut de Chimie du CNRS (INC)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Institute for Physical Chemistry and Center for Energy and Environmental Chemistry, ANR-11-LABX-0003,ARCANE,Grenoble, une chimie bio-motivée(2011), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), and Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG)
Subjects: Materials science, 010405 organic chemistry, chemistry.chemical_element, Electron donor, General Chemistry, Electron, [CHIM.CATA]Chemical Sciences/Catalysis, 010402 general chemistry, Photochemistry, Solar fuel, 01 natural sciences, 0104 chemical sciences, Catalysis, law.invention, Ruthenium, Electron transfer, symbols.namesake, chemistry.chemical_compound, Chemistry, chemistry, law, [SDE]Environmental Sciences, symbols, Electron paramagnetic resonance, Raman spectroscopy
Abstract: The π-extended ligand of a ruthenium complex stores two photo-generated electrons, mimicking a key step in photosynthesis., Increasing the efficiency of molecular artificial photosynthetic systems is mandatory for the construction of functional devices for solar fuel production. Decoupling the light-induced charge separation steps from the catalytic process is a promising strategy, which can be achieved thanks to the introduction of suitable electron relay units performing charge accumulation. We report here on a novel ruthenium tris-diimine complex able to temporarily store two electrons on a fused dipyridophenazine–pyridoquinolinone π-extended ligand upon visible-light irradiation in the presence of a sacrificial electron donor. Full characterization of this compound and of its singly and doubly reduced derivatives thanks to resonance Raman, EPR and (TD)DFT studies allowed us to localize the two electron-storage sites and to relate charge photoaccumulation with proton-coupled electron transfer processes.
Published: 2018
Full Text: View/download PDF

29. Photosensitized Degradation of Model Lipid Membranes based on 1-palmitoyl-2-oleyl-phosphatidylcholine (POPC)

Author: Alexander V. Shokurov, S. L. Selektor, Touria Cohen-Bouhacina, M. A. Grin, D. N. Novak, A. V. Zaytseva, Christine Grauby-Heywang, Vladimir V. Arslanov, A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences [Moscow] (RAS), Moscow State Technological University (MSTU Stankin), Laboratoire Ondes et Matière d'Aquitaine (LOMA), Université de Bordeaux (UB)-Centre National de la Recherche Scientifique (CNRS), Russian Foundation for Basic research (project no. 177-53-150013 CNRS_a, CNRS project no. 1520, Centre National de la Recherche Scientifique (CNRS)-Université de Bordeaux (UB), and Frumkin Institute of Physical Chemistry and Electrochemistry (RAS)
Subjects: 0301 basic medicine, 030103 biophysics, [PHYS.PHYS.PHYS-BIO-PH]Physics [physics]/Physics [physics]/Biological Physics [physics.bio-ph], Context (language use), 02 engineering and technology, Contact angle, 03 medical and health sciences, chemistry.chemical_compound, Phosphatidylcholine, Monolayer, Materials Chemistry, Photosensitizer, [SDV.BBM.BC]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biochemistry [q-bio.BM], POPC, ComputingMilieux_MISCELLANEOUS, [PHYS]Physics [physics], [PHYS.PHYS]Physics [physics]/Physics [physics], Organic Chemistry, technology, industry, and agriculture, Metals and Alloys, Biological membrane, 021001 nanoscience & nanotechnology, Surfaces, Coatings and Films, Membrane, chemistry, Biophysics, lipids (amino acids, peptides, and proteins), 0210 nano-technology
Abstract: International audience; In this work, we study the interaction of a well-known photosensitizer, MePha, with models of biological membrane (Langmuir monolayers and Langmuir–Schaeffer planar bilayers) based on one of the most important natural lipid, POPC, for the subsequent investigation of photodestruction processes in a context of photodynamic therapy treatment. Changes of macroscopic properties and morphology of POPC/MePha model membranes upon irradiation by visible light are recorded by means of contact angle measurements and atomic force microscopy, demonstrating clearly the possibility to use these methods for the study of photodestruction of artificial lipid membranes on solid substrates, but also for a comparative study of the efficiency of novel photosensitizers.
Published: 2018
Full Text: View/download PDF

30. Spectroscopy of jet-cooled methane in the lower icosad region: Empirical assignments of low-J″ spectral lines from two-temperature analysis

Author: Petr Pracna, Alain Campargue, Samir Kassi, Milan Mašát, Ondrej Votava, Didier Mondelain, J. Heyrosky´ Institute of Physical Chemistry (IPC), Czech Academy of Sciences [Prague] (CAS), J. Heyrovsky institute of Physical Chemistry, J. Heyrovsky Institute of Physical Chemistry, LAsers, Molécules et Environnement (LAME-LIPhy), Laboratoire Interdisciplinaire de Physique [Saint Martin d’Hères] (LIPhy), and Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)
Subjects: [PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics], Jet (fluid), Materials science, 010304 chemical physics, Spectrometer, 02 engineering and technology, 021001 nanoscience & nanotechnology, Quantum number, 01 natural sciences, Atomic and Molecular Physics, and Optics, Spectral line, Nuclear magnetic resonance, 0103 physical sciences, Supersonic speed, Physical and Theoretical Chemistry, Atomic physics, 0210 nano-technology, Absorption (electromagnetic radiation), Spectroscopy, Tunable laser
Abstract: International audience; Complete 12CH4 spectrum in the lower icosad spectral range (7050-7350 cm‑1) has been measured in supersonic jet at 28 K for the first time using direct absorption tunable diode laser spectrometer. Due to efficient rotational cooling only spectral lines with lower rotational quantum number J < 4 are observed in the spectrum. Spectral lines in the supersonic jet spectra have been matched with those in liquid nitrogen cooled cell spectra (81 K) and two-temperature method for empirical lower state rotational quantum number assignments has been applied to obtain accurate experimental values of the lower state rotational quantum numbers J″. Especially positions of lines with of J″ = 0 are relevant for vibrational band origin determination, as they are unambiguously the R(0) transitions of the respective bands.
Published: 2013
Full Text: View/download PDF

31. Molecular structure and ring tunneling of phenyl formate as observed by microwave spectroscopy and quantum chemistry

Author: Ha Vinh Lam Nguyen, Lynn Ferres, Wolfgang Stahl, Martin Schwell, Halima Mouhib, Rheinisch-Westfälische Technische Hochschule Aachen (RWTH), Laboratoire de Modélisation et Simulation Multi Echelle (MSME), Université Paris-Est Marne-la-Vallée (UPEM)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Interuniversitaire des Systèmes Atmosphériques (LISA (UMR_7583)), Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris Diderot - Paris 7 (UPD7)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS), Institute of Physical Chemistry [Aachen] ( IPC ), Rheinisch-Westfälische Technische Hochschule Aachen ( RWTH ), Laboratoire inter-universitaire des systèmes atmosphèriques ( LISA ), Institut national des sciences de l'Univers ( INSU - CNRS ) -Université Paris Diderot - Paris 7 ( UPD7 ) -Université Paris-Est Créteil Val-de-Marne - Paris 12 ( UPEC UP12 ) -Centre National de la Recherche Scientifique ( CNRS ), Institute of Physical Chemistry [Aachen] (IPC), Rheinisch-Westfälische Technische Hochschule Aachen University (RWTH), and Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Materials science, Plane symmetry, double minima potential, 010402 general chemistry, 01 natural sciences, Quantum chemistry, chemistry.chemical_compound, symbols.namesake, rotational spectroscopy, 0103 physical sciences, Molecule, Formate, Physical and Theoretical Chemistry, phenyl ring tunneling, Spectroscopy, Quantum tunnelling, ComputingMilieux_MISCELLANEOUS, 010304 chemical physics, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Amplitude, chemistry, [ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistry, symbols, Rotational spectroscopy, Atomic physics, Hamiltonian (quantum mechanics)
Abstract: International audience; Phenyl formate has been investigated by molecular jet Fourier-transform microwave spectroscopy in the frequency range from 2 to 26.5 GHz. Quantum chemical calculations at the MP2/6-311++G(d,p) level of theory indicate that this molecule does not have a plane of symmetry at equilibrium, and that the phenyl ring performs a large amplitude tunneling motion from one side of the Cs configuration to the other. The tilt angle of the ring out of the H-(C=O)O plane is ±70° and the calculated tunneling barrier is only 28 cm–1. The two lowest torsional states vt = 0 and 1 are assigned in the experimental spectrum and fitted using the program SPFIT/SPCAT. The Coriolis splitting ΔE between these states is 46.2231(25) GHz, very close to the value of 48.24 GHz calculated using a simple two-top torsional Hamiltonian of the formate group and the phenyl ring.
Published: 2017
Full Text: View/download PDF

32. First analysis of the high resolution FTIR spectrum of the ν2band of the FCO2radical at 970.2 cm−1

Author: Petr Pracna, Agnes Perrin, Zdeněk Zelinger, Václav Nevrlý, Helge Willner, Michal Střižík, Eva Grigorová, Helmut Beckers, Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12), Bergische Universität Wuppertal, FBC, Univ Ostrava, J. Heyrovsky institute of Physical Chemistry, J. Heyrovsky Institute of Physical Chemistry, and Technical University of Ostrava [Ostrava] (VSB)
Subjects: 010304 chemical physics, Infrared, Chemistry, Spectrum (functional analysis), Biophysics, Analytical chemistry, High resolution, Overtone band, Observable, Nova (laser), 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, Physical Sciences, 0103 physical sciences, Physical and Theoretical Chemistry, Atomic physics, Fourier transform infrared spectroscopy, Ground state, Molecular Biology
Abstract: International audience; The infrared spectrum of the fluorocarboxyl radical, FCO2, was recorded at high resolution (0.0035 cm−1) in the 600−1400 cm−1 region on a Bruker IFS 120 HR Fourier transform spectrometer of the University of Wuppertal. The analysis of the A-type nu2 band of FCO2 (CF stretching mode) centred at 970.208 cm−1 was performed taking use of the ground state parameters achieved by Kolesnikova et al. [Kolesnikova L, Varga J, Beckers H, Simeckova M, Zelinger Z, Nova Striteska L, Kania P, Willner H, Urban S. J. Chem. Phys. 128, 2008, pp. 224302-1-8]. For the FCO2 radical, the nu2 transitions are, in principle, splitted into two spin - rotation subcomponents corresponding to J= N +/-1/2. However the spin- rotation parameters in the 21 vibrational state have values similar to those of the ground state, and spin-rotation doublings are observable only for the weaker transitions involving medium Ka or Kc values in the P and R branches. The nu2 fundamental band is weakly perturbed by the 2nu5 dark overtone band at 965.4 cm−1 and the 21 and 52 energy levels of FCO2 are coupled through Fermi type resonances. The final energy level calculation was performed accounting both for the spin -rotation interaction within the 21 and 52 vibrational states, and the 21 52 Fermi-type resonances.
Published: 2010
Full Text: View/download PDF

33. Determination of Successive Complexation Constants in an Ionic Liquid: Complexation of UO22+ with NO3− in C4-mimTf2N Studied by UV−Vis Spectroscopy

Author: Ali Ouadi, Sylvia Georg, Michel Picquet, Isabelle Billard, Laetitia Petitjean, Clotilde Gaillard, Vitaly P. Solov'ev, Département Recherches Subatomiques ( DRS-IPHC ), Institut Pluridisciplinaire Hubert Curien ( IPHC ), Université de Strasbourg ( UNISTRA ) -Centre National de la Recherche Scientifique ( CNRS ) -Université de Strasbourg ( UNISTRA ) -Centre National de la Recherche Scientifique ( CNRS ), ACE, Institut de Physique Nucléaire de Lyon ( IPNL ), Université Claude Bernard Lyon 1 ( UCBL ), Université de Lyon-Université de Lyon-Institut National de Physique Nucléaire et de Physique des Particules du CNRS ( IN2P3 ) -Centre National de la Recherche Scientifique ( CNRS ) -Université Claude Bernard Lyon 1 ( UCBL ), Université de Lyon-Université de Lyon-Institut National de Physique Nucléaire et de Physique des Particules du CNRS ( IN2P3 ) -Centre National de la Recherche Scientifique ( CNRS ), Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] ( ICMUB ), Université de Bourgogne ( UB ) -Centre National de la Recherche Scientifique ( CNRS ), Université de Strasbourg ( UNISTRA ) -Centre National de la Recherche Scientifique ( CNRS ), Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences [Moscow] ( RAS ), Institut Pluridisciplinaire Hubert Curien (IPHC), Université de Strasbourg (UNISTRA)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut de Physique Nucléaire de Lyon (IPNL), Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3), Département Recherches Subatomiques (DRS-IPHC), Université de Strasbourg (UNISTRA)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Institut de Physique des 2 Infinis de Lyon (IP2I Lyon), Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Université de Bourgogne (UB)-Centre National de la Recherche Scientifique (CNRS), Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, and Russian Academy of Sciences [Moscow] (RAS)
Subjects: 010405 organic chemistry, complexation, Inorganic chemistry, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, uranium, [ PHYS.PHYS.PHYS-CHEM-PH ] Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], chemistry.chemical_compound, Ultraviolet visible spectroscopy, speciation, chemistry, [ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistry, Ionic liquid, Materials Chemistry, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Physical and Theoretical Chemistry, Imide, Spectroscopy, [CHIM.RADIO]Chemical Sciences/Radiochemistry, [ CHIM.RADIO ] Chemical Sciences/Radiochemistry, ComputingMilieux_MISCELLANEOUS, ionic liquid
Abstract: The complexation of UO(2)(2+) with NO(3)(-) has been investigated in the ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide by UV-vis spectroscopy at T = 18.5 degrees C. The complexation is evidenced through the appearance of four peaks at 425, 438, 453, and 467 nm. EXAFS data indicate that the trinitrato complex, UO(2)(NO(3))(3)(-), is dominating the speciation for a reagent ratio of [NO(3)(-)]/[UO(2)(2+)]3. Assuming three successive complexation steps, the conditional stability constants are calculated, the individual absorption spectra are derived, and a speciation plot is presented.
Published: 2010
Full Text: View/download PDF

34. Impact of molecular structure of polymer in 193 nm resist performance

Author: Christophe Brault, Cyril Brochon, Raluca Tiron, Esma Ismailova, Georges Hadziioannou, Damien Perret, Guy Schlatter, Christos L. Chochos, Claire Sourd, Philippe Bandelier, Christophe A. Serra, Laboratoire d'Ingenierie des Polymères pour les Hautes Technologies, Université Louis Pasteur - Strasbourg I-Centre National de la Recherche Scientifique (CNRS), QuantECA - Circuits électroniques quantiques Alpes, Institut Néel (NEEL), Université Grenoble Alpes (UGA)-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Université Grenoble Alpes (UGA)-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF), Institute of Physical Chemistry 'Demokritos' (IPC), National Center for Scientific Research 'Demokritos' (NCSR), Laboratoire d'Electronique et des Technologies de l'Information (CEA-LETI), Université Grenoble Alpes (UGA)-Direction de Recherche Technologique (CEA) (DRT (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Lithography Laboratory, Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Rohm et Haas Electronic Materials, Ecole nationale supérieure de chimie, polymères et materiaux de strasbourg (ECPM), Commissariat à l'énergie atomique et aux énergies alternatives - Laboratoire d'Electronique et de Technologie de l'Information (CEA-LETI), Direction de Recherche Technologique (CEA) (DRT (CEA)), Laboratoire de Chimie des Polymères Organiques (LCPO), Université de Bordeaux (UB)-Ecole Nationale Supérieure de Chimie, de Biologie et de Physique (ENSCBP)-Institut Polytechnique de Bordeaux-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Team 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies, Université de Bordeaux (UB)-Ecole Nationale Supérieure de Chimie, de Biologie et de Physique (ENSCBP)-Institut Polytechnique de Bordeaux-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Bordeaux (UB)-Ecole Nationale Supérieure de Chimie, de Biologie et de Physique (ENSCBP)-Institut Polytechnique de Bordeaux-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique ( CNRS ) -Université Louis Pasteur - Strasbourg I, NanoSpin - Nanospintronique et Transport Moléculaire, Institut Néel ( NEEL ), Centre National de la Recherche Scientifique ( CNRS ) -Université Grenoble Alpes [Saint Martin d'Hères]-Centre National de la Recherche Scientifique ( CNRS ) -Université Grenoble Alpes [Saint Martin d'Hères], Institute of Physical Chemistry 'Demokritos' ( IPC ), National Center for Scientific Research 'Demokritos' ( NCSR ), Laboratoire d'Electronique et des Technologies de l'Information ( CEA-LETI ), Commissariat à l'énergie atomique et aux énergies alternatives ( CEA ) -Université Grenoble Alpes [Saint Martin d'Hères], Commissariat à l'énergie atomique et aux énergies alternatives ( CEA ), Circuits électroniques quantiques Alpes (QuantECA), Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF), Centre National de la Recherche Scientifique (CNRS)-Institut Polytechnique de Bordeaux-Ecole Nationale Supérieure de Chimie, de Biologie et de Physique (ENSCBP)-Université de Bordeaux (UB)-Institut de Chimie du CNRS (INC), Centre National de la Recherche Scientifique (CNRS)-Institut Polytechnique de Bordeaux-Ecole Nationale Supérieure de Chimie, de Biologie et de Physique (ENSCBP)-Université de Bordeaux (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut Polytechnique de Bordeaux-Ecole Nationale Supérieure de Chimie, de Biologie et de Physique (ENSCBP)-Université de Bordeaux (UB)-Institut de Chimie du CNRS (INC), Circuits électroniques quantiques Alpes (NEEL - QuantECA), and Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)
Subjects: Materials science, Nanotechnology, 02 engineering and technology, 193 nm Lithography, 010402 general chemistry, Methacrylate, Molecular weight, 01 natural sciences, law.invention, law, Resist, Electrical and Electronic Engineering, chemistry.chemical_classification, Molecular electronics, Polymer, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, [ CHIM.POLY ] Chemical Sciences/Polymers, [CHIM.POLY]Chemical Sciences/Polymers, Polymer structure, chemistry, Radius of gyration, Molar mass distribution, Photo acid generator, Photolithography, 0210 nano-technology, Critical dimension
Abstract: International audience; Miniaturization in microelectronic technologies requests a development of new high-performance materials for microlithography with good resolution of the critical dimension. However, the real impact of polymer structure on lithographic performances is not yet well understood to predict the properties of formulated resist. Our approach is the synthesis and characterization of model resists and the understanding of the relationship between material - properties - processes. In this work we present the influence of the polymer's molecular weight in lithographic profile of the generated patterns. The limits of the polymer's molecular weight values based on model terpolymers, consisting of methacrylate matrix, for efficient patterning have been identified. Finally, the ineffective sensitivity and dissolution issue of the polymer resists having an average molecular weight of 30 kg/mol was extensively examined and attributed to the molecular weight of the polymer and more precisely to the radius of gyration of the polymer.
Published: 2009
Full Text: View/download PDF

35. A study of thermal decomposition and combustion products of disposable polyethylene terephthalate (PET) plastic using high resolution fourier transform infrared spectroscopy, selected ion flow tube mass spectrometry and gas chromatography mass spectrometry

Author: Kseniya Dryahina, Kristýna Sovová, Martin Ferus, I. Matulková, Otto Dvořák, Svatopluk Civiš, Patrik Španěl, J. Heyrovský Institute of Physical Chemistry, Czech Academy of Sciences [Prague] (CAS), Chemical Physics, J. Heyrovsky Institute of Physical Chemistry, and Fire Technical Institute
Subjects: Terephthalic acid, Chemistry, 010401 analytical chemistry, Xylene, Biophysics, Analytical chemistry, 02 engineering and technology, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Ethylbenzene, 0104 chemical sciences, 3. Good health, Styrene, chemistry.chemical_compound, 13. Climate action, Physical Sciences, Polyethylene terephthalate, Selected-ion flow-tube mass spectrometry, Physical and Theoretical Chemistry, Fourier transform infrared spectroscopy, 0210 nano-technology, Benzene, Molecular Biology
Abstract: International audience; The industrial production of poly (ethylene terephthalate), PET, continues to increase and thus it is important to understand the composition of fumes resulting from its disposal as a part of incinerated waste. In this study samples of PET material were combusted in a furnace corresponding to the German standard DIN 53 436 at the temperatures of 500○C, 800○C (in an air flow) and also uncontrolled burning in air. The gaseous products were then analysed using three different analytical methods: high resolution Fourier transform infrared spectroscopy (FTIR), selected ion flow tube mass spectrometry (SIFT-MS) and gas chromatography mass spectrometry (GC-MS). Carbon dioxide, methane, ethylene, acetylene, formaldehyde (methanal) and acetaldehyde (ethanal) were detected by FTIR. Water, methane, acetaldehyde, ethylene, formaldehyde, methanol, acetone, benzene, terephthalic acid, styrene (ethenylbenzene), ethanol, toluene (methylbenzene), xylene (dimethylbenzene), ethylbenzene, naphthalene, biphenyl and phenol concentrations were all quantified by both SIFT-MS and GC-MS. Additionally, the fumes resulting from uncontrolled combustion in air were analysed by FTIR which resolves the rotation-vibration structure of the absorption bands of formaldehyde (2779.90 and 2778.48 cm-1) and propane, which was identified from characteristic vibrations of CH3 groups at 2977.00 and 2962.00 cm-1. The spectra were compared to the reference standards.
Published: 2008
Full Text: View/download PDF

36. Reactivity of the CHBr2+ Dication toward Molecular Hydrogen

Author: Helmut Schwarz, Jana Roithová, Jan Zabka, Detlef Schröder, Zdenek Herman, Roland Thissen, V. Čermák Laboratory, Czech Academy of Sciences [Prague] (CAS)-J. Heyrovsky Institute of Physical Chemistry, J. Heyrovský Institute of Physical Chemistry, J. Heyrovsky Institute of Physical Chemistry, Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences (IOCB / CAS), Czech Academy of Sciences [Prague] (CAS), Laboratoire de Chimie Physique D'Orsay (LCPO), Université Paris-Sud - Paris 11 (UP11)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut für Chemie, and Der Technischen Universität Berlin
Subjects: Proton, 010405 organic chemistry, Chemistry, Hydrogen molecule, 010402 general chemistry, Cleavage (embryo), Photochemistry, 01 natural sciences, 0104 chemical sciences, 3. Good health, Dication, Deuterium, Translational energy, Reactivity (chemistry), [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Physical and Theoretical Chemistry
Abstract: Structural aspects as well as the stability and reactivity of the CHBr(2+) dication are studied both experimentally and theoretically. Translational energy distributions of the CHBr(+) products from charge transfer between CHBr(2+) and Kr indicate that the dication exists in two isomeric forms, H-C-Br(2+) and C-Br-H(2+). In the reaction of CHBr(2+) with H(2), the dominant channel corresponds to proton transfer leading to CBr(+) + H(3)(+). Other reaction channels involve the formation of the intermediates CH(3)Br(2+) and CH(2)BrH(2+), respectively. Both of the latter dications can either lose a proton to form CH(2)Br(+) or undergo a spin-isomerization followed by cleavage of the C-Br bond. The proposed mechanisms are supported by DFT calculations and deuterium labeling experiments.
Published: 2006
Full Text: View/download PDF

37. Veldkamp-Space Aspects of a Sequence of Nested Binary Segre Varieties

Author: Hans Havlicek, Petr Pracna, Metod Saniga, Frédéric Holweck, Michel Planat, Astronomical Institute of the Slovak Academy of Sciences, Slovak Academy of Science [Bratislava] (SAS), Institut fuer Diskrete Mathematik und Geometrie (TUW), Vienna University of Technology (TU Wien), Laboratoire Mécatronique 3M - Méthodes, Modèles , Métiers (M3M), Université de Technologie de Belfort-Montbeliard (UTBM), Franche-Comté Électronique Mécanique, Thermique et Optique - Sciences et Technologies (UMR 6174) (FEMTO-ST), Université de Technologie de Belfort-Montbeliard (UTBM)-Ecole Nationale Supérieure de Mécanique et des Microtechniques (ENSMM)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS), J. Heyrovsky institute of Physical Chemistry, and J. Heyrovsky Institute of Physical Chemistry
Subjects: Statistics and Probability, [PHYS.MPHY]Physics [physics]/Mathematical Physics [math-ph], FOS: Physical sciences, Binary number, 0102 computer and information sciences, Lagrangian Grassmannian, 01 natural sciences, Combinatorics, [PHYS.QPHY]Physics [physics]/Quantum Physics [quant-ph], [MATH.MATH-MP]Mathematics [math]/Mathematical Physics [math-ph], [MATH.MATH-CO]Mathematics [math]/Combinatorics [math.CO], FOS: Mathematics, Mathematics - Combinatorics, Discrete Mathematics and Combinatorics, 0101 mathematics, Polar space, Invariant (mathematics), Mathematical Physics, Direct product, Physics, Quantum Physics, Algebra and Number Theory, 010102 general mathematics, Statistical and Nonlinear Physics, Mathematical Physics (math-ph), Linear subspace, Hyperplane, 010201 computation theory & mathematics, Combinatorics (math.CO), Geometry and Topology, Quantum Physics (quant-ph), Symplectic geometry
Abstract: Let $S_{(N)} \equiv PG(1,\,2) \times PG(1,\,2) \times \cdots \times PG(1,\,2)$ be a Segre variety that is $N$-fold direct product of projective lines of size three. Given two geometric hyperplanes $H'$ and $H''$ of $S_{(N)}$, let us call the triple $\{H', H'', \overline{H' \Delta H''}\}$ the Veldkamp line of $S_{(N)}$. We shall demonstrate, for the sequence $2 \leq N \leq 4$, that the properties of geometric hyperplanes of $S_{(N)}$ are fully encoded in the properties of Veldkamp {\it lines} of $S_{(N-1)}$. Using this property, a complete classification of all types of geometric hyperplanes of $S_{(4)}$ is provided. Employing the fact that, for $2 \leq N \leq 4$, the (ordinary part of) Veldkamp space of $S_{(N)}$ is $PG(2^N-1,2)$, we shall further describe which types of geometric hyperplanes of $S_{(N)}$ lie on a certain hyperbolic quadric $\mathcal{Q}_0^+(2^N-1,2) \subset PG(2^N-1,2)$ that contains the $S_{(N)}$ and is invariant under its stabilizer group; in the $N=4$ case we shall also single out those of them that correspond, via the Lagrangian Grassmannian of type $LG(4,8)$, to the set of 2295 maximal subspaces of the symplectic polar space $\mathcal{W}(7,2)$., Comment: 16 pages, 8 figures and 7 tables
Published: 2015

38. Rovibrational spectra of DCF3 in the 2000cm−1 region: A high-resolution study of the v5=2 and v2=v5=1 levels

Author: Adina Ceausu-Velcescu, Petr Pracna, Adriana Predoi-Cross, LAboratoire de Mathématiques et PhySique (LAMPS), Université de Perpignan Via Domitia (UPVD), J. Heyrovsky institute of Physical Chemistry, J. Heyrovsky Institute of Physical Chemistry, Department of Physics and Astronomy [Lethbridge], and University of Lethbridge
Subjects: Physics, [PHYS]Physics [physics], 010304 chemical physics, Reduced Hamiltonian, Overtone bands, Infrared, Overtone, Resolution (electron density), Overtone band, Spectral bands, Rotational–vibrational spectroscopy, 010402 general chemistry, Combination bands, 01 natural sciences, Atomic and Molecular Physics, and Optics, Spectral line, 0104 chemical sciences, Deuterated fluoroform, Nuclear magnetic resonance, 0103 physical sciences, Physical and Theoretical Chemistry, Atomic physics, Spectroscopy
Abstract: The high-resolution infrared spectrum of DCF 3 was investigated in the 2000 cm −1 region, with the aim of assigning and analyzing the overtone bands 2ν 5 ( A 1 + E ), as well as the combination band ν 2 + ν 5 ( E ). The present paper reports on the first high-resolution study of the v 2 = v 5 = 1 and v 5 = 2 levels, through the analysis of the combination ν 2 + ν 5 and the overtone 2 ν 5 ∓ 2 bands respectively. This analysis can be thought of as a necessary step toward the reinvestigation of the complicated vibrational pattern in the CD stretching fundamental region.
Published: 2014
Full Text: View/download PDF

39. Artificial Iono- and Photosensitive Membranes Based on an Amphiphilic Aza-Crown-Substituted Hemicyanine

Author: Christine Grauby-Heywang, Sophiya Selektor, Vladimir V. Arslanov, Daria A. Silant’yeva, Pinar Batat, Gediminas Jonusauskas, Nathan D. McClenaghan, Laboratoire Ondes et Matière d'Aquitaine (LOMA), Université de Bordeaux (UB)-Centre National de la Recherche Scientifique (CNRS), Frumkin Institute of Physical Chemistry and Electrochemistry (RAS), Russian Academy of Sciences [Moscow] (RAS), Institut des Sciences Moléculaires (ISM), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Centre National de la Recherche Scientifique (CNRS), Centre de physique moléculaire optique et hertzienne (CPMOH), Centre National de la Recherche Scientifique (CNRS)-Université Sciences et Technologies - Bordeaux 1, Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and A.N. Frumkin Institute of Physical Chemistry and Electrochemistry
Subjects: Dimer, 02 engineering and technology, 010402 general chemistry, Photochemistry, Excimer, 01 natural sciences, Fluorescence spectroscopy, Surface-Active Agents, chemistry.chemical_compound, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Cations, Amphiphile, Ultrafast laser spectroscopy, [CHIM.COOR]Chemical Sciences/Coordination chemistry, Physical and Theoretical Chemistry, Coloring Agents, ComputingMilieux_MISCELLANEOUS, Langmuir-Blodgett films, [PHYS]Physics [physics], Aza Compounds, Molecular Structure, Excimers, [PHYS.PHYS]Physics [physics]/Physics [physics], Chemistry, Carbocyanines, Photochemical Processes, 021001 nanoscience & nanotechnology, Ion-sensitive membranes, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Membrane, Microscopy, Fluorescence, Absorption (chemistry), 0210 nano-technology, Hemicyanines, Fluorescence anisotropy
Abstract: International audience; Artificial iono- and photosensitive membranes based on an amphiphilic aza-crown-substituted hemicyanine are assembled on liquid and solid supports and their aggregation behaviour, which is influenced by the binding of metal cations and surface density, is studied. The photoinduced charge-transfer properties of an analogous non-amphiphilic hemicyanine in solution are also demonstrated. An asymmetric sandwich dimer model is proposed and existence of such dimers in solution is evidenced by transient absorption and fluorescence anisotropy experiments. Changes in absorption and emission spectra, as well as compression isotherms of the amphiphile observed in the presence of cations, are discussed in terms of 2D molecular reorganisation. Surface-pressure-controlled reversible excimer formation at the air-water interphase and excimer-type emission of Langmuir-Blodgett films in the presence of cations are demonstrated and are discussed on the basis of fibre-optic fluorimetry and fluorescence microscopy results.
Published: 2014
Full Text: View/download PDF

40. Controlling the diversity of ion-induced fragmentation pathways by N-methylation of amino acids

Author: Darío Barreiro-Lage, Chiara Nicolafrancesco, Jaroslav Kočišek, Alberto Luna, Janina Kopyra, Manuel Alcamí, Bernd A. Huber, Fernando Martín, Alicja Domaracka, Patrick Rousseau, Sergio Díaz-Tendero, Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, 28049 Madrid (Spain), Atomes, Molécules et Agrégats (AMA), Centre de recherche sur les Ions, les MAtériaux et la Photonique (CIMAP - UMR 6252), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), J. Heyrovský Institute of Physical Chemistry of the ASCR, Czech Academy of Sciences [Prague] (CAS), Centro de Computación Científica (CCC-UAM), Universidad Autónoma de Madrid (UAM), Siedlce University of Natural Sciences and Humanities, Departamento de Química, Modulo 13, Universidad Autónoma de Madrid, Instituto IMDEA Nanociencia [Madrid], Instituto Imdea Nanociencia, Institute for Advanced Research in Chemical Science (IAdChem) (IAdChem), and Departamento de Física Teórica de la Materia Condensada and Condensed Matter Physics Center (IFIMAC)
Subjects: [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], General Physics and Astronomy, Physical and Theoretical Chemistry
Abstract: International audience; We present a combined experimental and theoretical study of the fragmentation of singly and doubly N-methylated glycine (sarcosine and N,N-dimethyl glycine, respectively) induced by low-energy (keV) O6+ ions. Multicoincidence mass spectrometry techniques and quantum chemistry simulations (ab initio molecular dynamics and density functional theory) allow us to characterise different fragmentation pathways as well as the associated mechanisms. We focus on the fragmentation of doubly ionised species, for which coincidence measurements provide unambiguous information on the origin of the various charged fragments. We have found that single N-methylation leads to a larger variety of fragmentation channels than in no methylation of glycine, while double N-methylation effectively closes many of these fragmentation channels, including some of those appearing in pristine glycine. Importantly, the closure of fragmentation channels in the latter case does not imply a protective effect by the methyl group.
Published: 2022
Full Text: View/download PDF

41. Using data and models to infer climate and environmental changes during the Little Ice Age in tropical West Africa

Author: Anne-Marie Lézine, Maé Catrain, Julián Villamayor, Myriam Khodri, Variabilité à long terme du climat de l'océan (VALCO), Laboratoire d'Océanographie et du Climat : Expérimentations et Approches Numériques (LOCEAN), Muséum national d'Histoire naturelle (MNHN)-Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut Pierre-Simon-Laplace (IPSL (FR_636)), École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut national des sciences de l'Univers (INSU - CNRS)-École polytechnique (X)-Centre National d'Études Spatiales [Toulouse] (CNES)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité)-École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-École polytechnique (X)-Centre National d'Études Spatiales [Toulouse] (CNES)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité)-Muséum national d'Histoire naturelle (MNHN)-Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut Pierre-Simon-Laplace (IPSL (FR_636)), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-École polytechnique (X)-Centre National d'Études Spatiales [Toulouse] (CNES)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Océan et variabilité du climat (VARCLIM), Institute of Physical Chemistry Rocasolano (IQFR), and Agence Nationale de la Recherche (France)
Subjects: Global and Planetary Change, paleoclimate, PMIP4 past1000, Sahel climate, model-data comparison, [SDU]Sciences of the Universe [physics], Stratigraphy, Paleontology
Abstract: 16 pags., 7 figs., 1 tab., Here we present hydrological and vegetation paleo-data extracted from 28 sites in West Africa from 5g€¯S to 19g€¯N and the past1000/PMIP4 IPSL-CM6A-LR climate model simulations covering the 850-1850g€¯CE period to document the environmental and climatic changes that occurred during the Little Ice Age (LIA). The comparison between paleo-data and model simulations shows a clear contrast between the area spanning the Sahel and the savannah in the north, characterized by widespread drought, and the equatorial sites in the south, where humid conditions prevailed. Particular attention was paid to the Sahel, whose climatic evolution was characterized by a progressive drying trend between 1250 and 1850g€¯CE. Three major features are highlighted: (1) the detection of two early warning signals around 1170 and 1240g€¯CE preceding the onset of the LIA drying trend; (2) a tipping point at 1800-1850g€¯CE characterized by a rainfall drop and an environmental degradation in the Sahel; and (3) a succession of drying events punctuating the LIA, the major one of which was dated to around 1600g€¯CE. The climatic long-term evolution of the Sahel is associated with a gradual southward displacement of the Inter-Tropical Convergence Zone induced by the radiative cooling impacts of major volcanic eruptions that have punctuated the last millennium., This research has been supported by the Agence Nationale de la Recherche (grant no. 18 BELM 0001 05).
Published: 2023
Full Text: View/download PDF

42. Design of a nitrogen-implanted titanium-based superelastic alloy with optimized properties for biomedical applications

Author: Valentina Mitran, Denis Busardo, Silviu Iulian Drob, Thierry Gloriant, Cora Vasilescu, Anisoara Cimpean, M. Cornen, Daniel Höche, D.M. Gordin, Institut des Sciences Chimiques de Rennes (ISCR), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA), Quertech Ingenierie, Department of Biochemistry and Molecular Biology, University of Bucharest (UniBuc), Institute of Physical Chemistry 'Ilie Murgulescu', Institute of Physical Chemistry, Institute of Materials Research [Geesthacht], Helmholtz-Zentrum Geesthacht (GKSS), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Surface analysis, Corrosion resistance, 02 engineering and technology, Nitride, 01 natural sciences, [CHIM.GENI]Chemical Sciences/Chemical engineering, X-Ray Diffraction, Composite material, Titanium, Photoelectron Spectroscopy, 021001 nanoscience & nanotechnology, Body Fluids, Corrosion, Ion implantation, Mechanics of Materials, Biocompatibility, Titanium alloy, 0210 nano-technology, Materials science, Friction, Nitrogen, Surface Properties, Alloy, Biomedical Technology, chemistry.chemical_element, Bioengineering, engineering.material, 010402 general chemistry, Biomaterials, Fetus, X-ray photoelectron spectroscopy, Hardness, Tensile Strength, Alloys, Humans, ddc:620.11, Cell Proliferation, Osteoblasts, L-Lactate Dehydrogenase, Metallurgy, technology, industry, and agriculture, Elasticity, Fibronectins, 0104 chemical sciences, chemistry, Potentiometry, engineering, Stress, Mechanical
Abstract: International audience; In this study, a superelastic Ni-free Ti-based biomedical alloy was treated in surface by the implantation of nitrogen ions for the first time. The N-implanted surface was characterized by X-ray diffraction, X-ray photoelectron spectroscopy, and secondary ion mass spectroscopy, and the superficial mechanical properties were evaluated by nano-indentation and by ball-on-disk tribological tests. To investigate the biocompatibility, the corrosion resistance of the N-implanted Ti alloy was evaluated in simulated body fluids (SBF) complemented by in-vitro cytocompatibility tests on human fetal osteoblasts. After implantation, surface analysis methods revealed the formation of a titanium-based nitride on the substrate surface. Consequently, an increase in superficial hardness and a significant reduction of friction coefficient were observed compared to the non-implanted sample. Also, a better corrosion resistance and a significant decrease in ion release rates have been obtained. Cell culture experiments indicated that the cytocompatibility of the N-implanted Ti alloy was superior to that of the corresponding non-treated sample. Thus, this new functional N-implanted titanium-based superelastic alloy presents the optimized properties that are required for various medical devices: superelasticity, high superficial mechanical properties, high corrosion resistance and excellent cytocompatibility.
Published: 2013
Full Text: View/download PDF

43. Bimodal mesoporous titanium dioxide anatase films templated by a block polymer and an ionic liquid: influence of the porosity on the permeability

Author: Mathieu Etienne, Bernd M. Smarsly, Michael Schröder, Christian Dunkel, Sébastien Sallard, Cédric Boissière, Alain Walcarius, Torsten Oekermann, Michael Wark, Paul Scherrer Institute (PSI), Institute of physical chemistry, Justus-Liebig-Universität Gießen = Justus Liebig University (JLU), Laboratoire de Chimie de la Matière Condensée de Paris (LCMCP), Université Pierre et Marie Curie - Paris 6 (UPMC)-Collège de France (CdF (institution))-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institute of physical chemistry and electrochemistry, Leibniz Universität Hannover=Leibniz University Hannover, Laboratoire de Chimie Physique et Microbiologie pour l'Environnement (LCPME), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Carl Von Ossietzky Universität Oldenburg = Carl von Ossietzky University of Oldenburg (OFFIS), Ruhr-Universität Bochum [Bochum], Institute of Physical Chemistry, Justus-Liebig-Universität Gießen (JLU), Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS)-Collège de France (CdF (institution))-Institut de Chimie du CNRS (INC), Leibniz Universität Hannover [Hannover] (LUH), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), and Carl Von Ossietzky Universität Oldenburg
Subjects: Anatase, Materials science, silica thin-films, Chemistry & allied sciences, Nanotechnology, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, 7. Clean energy, molecular-transport, chemistry.chemical_compound, generation, Copolymer, General Materials Science, crystalline, [SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics, Porosity, chemistry.chemical_classification, sensitized solar-cells, tio2 films, architectures, Polymer, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, lithium batteries, accessibility, chemistry, Chemical engineering, Titanium dioxide, Ionic liquid, ddc:540, Grazing-incidence small-angle scattering, 0210 nano-technology, Mesoporous material, performance
Abstract: In the present paper, we report the synthesis of bimodal mesoporous anatase TiO2 films by the EISA (Evaporation-Induced Self-Assembly) method using sol-gel chemistry combining two porogen agents, a low molecular weight ionic template and a neutral block copolymer. The surfactant template (C(16)mimCl) generates non-oriented worm-like pores (8 to 10 nm) which connect the regularly packed ellipsoidal mesopores (15 to 20 nm diameter) formed by an amphiphilic block copolymer of the type poly(isobutylene)-b-poly(ethylene oxide) (PIB-PEO). The surfactant template can also significantly influence the size and packing of the ellipsoidal mesopores. The mesostructural organization and mesoporosity of the films are studied by Environmental Ellipsometry-Porosimetry (EEP), Grazing-Incidence Small-Angle X-ray Scattering (GISAXS) and electron microscopy techniques. Electrochemical characterization is performed to study the permeability of the films to liquid solutions, using two types of probe moieties (K3FeIII(CN)(6) and Ru(bpy)(3)(2+)) by the wall-jet technique. An optimum ratio of C(16)mimCl/PIB-PEO provides anatase films with a continuous bimodal mesopore structure, possessing a permeability up to two times higher than that of the mesoporous films templated by PIB-PEO only (with partially isolated mesopores). When C(16)mimCl is used in large quantities, up to 20% weight vs. PIB-PEO, large overall porous volume and surface area are obtained, but the mesostructure is increasingly disrupted, leading to a severe loss of permeability of the bimodal films. A dye-sensitized solar cell set-up is used with anatase films as the photoelectrode. The photosensitizer loading and the total energy conversion efficiency of the solar cells using the mesoporous films templated by an optimal ratio of the two porogen agents C(16)mimCl and PIB-PEO can be substantially increased in comparison with the solar cells using mesoporous films templated by PIB-PEO only. DFG/SM 199/6-1 DFG/OE 420/5-1 BMBF/SOHyb/03X3525E
Published: 2013
Full Text: View/download PDF

44. Surface characterization and biocompatibility of titanium alloys implanted with nitrogen by Hardion+ technology

Author: V. Chane-Pane, Valentina Mitran, Cora Vasilescu, Thierry Gloriant, Denis Busardo, Anisoara Cimpean, Daniel Höche, D.M. Gordin, Silviu Iulian Drob, Institut des Sciences Chimiques de Rennes (ISCR), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA), Quertech Ingenierie, Department of Biochemistry and Molecular Biology, University of Bucharest (UniBuc), Institute of Materials Research [Geesthacht], Helmholtz-Zentrum Geesthacht (GKSS), Institute of Physical Chemistry 'Ilie Murgulescu', Institute of Physical Chemistry, Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), and Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Materials science, Ion beam, Biocompatibility, Cell Survival, Nitrogen, Surface Properties, Alloy, Biomedical Engineering, Biophysics, chemistry.chemical_element, Bioengineering, Biocompatible Materials, 02 engineering and technology, engineering.material, Mass Spectrometry, Corrosion, Biomaterials, 03 medical and health sciences, chemistry.chemical_compound, Materials Testing, Alloys, Cell Adhesion, Humans, 030304 developmental biology, Cell Proliferation, Ions, Titanium, 0303 health sciences, Osteoblasts, Metallurgy, technology, industry, and agriculture, Temperature, Titanium alloy, Prostheses and Implants, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, equipment and supplies, Titanium nitride, Extracellular Matrix, Fibronectins, chemistry, Chemical engineering, engineering, 0210 nano-technology, Tin
Abstract: International audience; In this study, the new Hardion+ micro-implanter technology was used to modify surface properties of biomedical pure titanium (CP-Ti) and Ti-6Al-4V ELI alloy by implantation of nitrogen ions. This process is based on the use of an electron cyclotron resonance ion source to produce a multienergetic ion beam from multicharged ions. After implantation, surface analysis methods revealed the formation of titanium nitride (TiN) on the substrate surfaces. An increase in superficial hardness and a significant reduction of friction coefficient were observed for both materials when compared to non-implanted samples. Better corrosion resistance and a significant decrease in ion release rates were observed for N-implanted biomaterials due to the formation of the protective TiN layer on their surfaces. In vitro tests performed on human fetal osteoblasts indicated that the cytocompatibility of N-implanted CP-Ti and Ti-6Al-4V alloy was enhanced in comparison to that of the corresponding non treated samples. Consequently, Hardion+ implantation technique can provide titanium alloys with better qualities in terms of corrosion resistance, cell proliferation, adhesion and viability.
Published: 2012
Full Text: View/download PDF

45. Aminoquinoxaline-Based Dual Colorimetric and Fluorescent Sensors for pH Measurement in Aqueous Media

Author: Elizaveta V. Ermakova, Andrey V. Cheprakov, Alla Bessmertnykh-Lemeune, A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences [Moscow] (RAS), Lomonosov Moscow State University (MSU), Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Chimie - UMR5182 (LC), École normale supérieure de Lyon (ENS de Lyon)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: optical chemosensor, Quinoxaline, colorimetry, [CHIM]Chemical Sciences, fluorescence, Physical and Theoretical Chemistry, pH indicator, quinoxaline, Analytical Chemistry
Abstract: This research is focused on the development of pH indicators based on the quinoxaline signaling group for acidic aqueous solutions (pH 1–5). A push–pull quinoxaline QC1 in which two electron-donating (3-aminopropyl)amino substituents are attached to positions 6 and 7 of the electron-deficient quinoxaline moiety was prepared using the palladium-catalyzed C–N cross-coupling reaction. The 3-aminopropyl residues are mostly protonated in aqueous solutions below pH 8, thus serving as hydrophilizing substituents that render quinoxaline derivative QC1 water-soluble in this range of acidities and useful for measurements in the pH range of 1–5. This chromophore is a dual optical chemosensor that exhibits shifts of both absorption and emission bands in response to external stimuli. The presence of naturally relevant metal cations (13 ions) does not interfere with spectrophotometric and fluorescence measurements of the optical response of aminoquinoxaline in the visible region. Moreover, these spectral changes are easily observed by the naked eye, allowing for rapid semi-quantitative analyses under “in-field” conditions.
Published: 2022
Full Text: View/download PDF

46. Temperature dependence of the absorption spectrum of CH4 by high resolution spectroscopy at 81K: (II) The icosad region (1.49-1.30μm)

Author: Alain Campargue, Ondřej Votava, Le Wang, Samir Kassi, Milan Mašát, LAsers, Molécules et Environnement (LAME-LIPhy), Laboratoire Interdisciplinaire de Physique [Saint Martin d’Hères] (LIPhy), Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF), Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF), Laboratoire d'études spatiales et d'instrumentation en astrophysique (LESIA), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS), J. Heyrosky´ Institute of Physical Chemistry (IPC), Czech Academy of Sciences [Prague] (CAS), J. Heyrovsky Institute of Physical Chemistry, Laboratoire de Spectrométrie Physique (LSP), Université Joseph Fourier - Grenoble 1 (UJF)-Centre National de la Recherche Scientifique (CNRS), and ANR-08-BLAN-0254,CH4@Titan,In-depth study of the methane absorption in Titan's atmosphere from calculations and experiments(2008)
Subjects: Materials science, 010504 meteorology & atmospheric sciences, Absorption spectroscopy, 01 natural sciences, Spectral line, Absorbance, HITRAN, 0103 physical sciences, Spectroscopy, 010303 astronomy & astrophysics, ComputingMilieux_MISCELLANEOUS, 0105 earth and related environmental sciences, [PHYS.PHYS.PHYS-AO-PH]Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph], [PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics], CH4, Radiation, [PHYS.PHYS.PHYS-ATOM-PH]Physics [physics]/Physics [physics]/Atomic Physics [physics.atom-ph], Differential optical absorption spectroscopy, Rotational–vibrational spectroscopy, Liquid nitrogen, Atomic and Molecular Physics, and Optics, Atomic physics, Titan, Methane
Abstract: International audience; The high resolution absorption spectrum of methane has been recorded at liquid nitrogen temperature by differential absorption spectroscopy between 6717 and 7351 cm−1 (1.49–1.36 μm) using a cryogenic cell and a series of distributed feed back (DFB) diode lasers. The investigated spectral region corresponds to the very congested low energy part of the icosad for which the HITRAN database provides neither rovibrational assignments nor the lower state energies. The positions and strengths at 81 K of 9389 transitions were obtained from the spectrum analysis. The minimum value of the measured line intensities (at 81 K) is on the order of 10−26 cm/molecule. From the variation of the line strength between 81 K and 296 K, the low energy values of a total of 4646 transitions were determined. They represent 79.4% and 68.4% of the total absorbance in the region at 81 and 296 K, respectively, and include 28 transitions assigned to the ν2+4ν4 band near 6765 cm−1. The reliability of the method based on the association of lines with coinciding centers in the 81 K and 296 K spectra is discussed. The results of the present analysis have been combined with previously analyzed high energy part of the icosad dominated by the ν2+2ν3 band near 7510 cm−1. The line list for the whole icosad (6717–7655 cm−1) consists of 12 865 transitions at 81 K.
Published: 2010
Full Text: View/download PDF

47. Threshold photoelectron spectroscopy of the methyl radical isotopomers, CH3, CH2D, CHD2 and CD3: synergy between VUV synchrotron radiation experiments and explicitly correlated coupled cluster calculations

Author: Peter Botschwina, Stéphane Douin, Bastian Noller, Bérenger Gans, Gustavo A. Garcia, Jan Zabka, Patrick Hemberger, Christian Alcaraz, Luiz A. Vieira Mendes, Héloïse Soldi-Lose, Mohamed Elhanine, Barbara Cunha de Miranda, Ingo Fischer, Séverine Boyé-Péronne, Laboratoire de Chimie Physique D'Orsay (LCPO), Université Paris-Sud - Paris 11 (UP11)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Paul Scherrer Institut (PSI), Paul Scherrer Institute (PSI), Department of Applied Physics and Photonics [Brussels] (TONA), Vrije Universiteit Brussel (VUB), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Universidade Federal Fluminense [Rio de Janeiro] (UFF), J. Heyrovský Institute of Physical Chemistry, J. Heyrovsky Institute of Physical Chemistry, Institute of Physical Chemistry, University of Göttingen - Georg-August-Universität Göttingen, and Georg-August-University [Göttingen]
Subjects: [PHYS]Physics [physics], 010304 chemical physics, Chemistry, Infrared spectroscopy, Methyl radical, Synchrotron radiation, Configuration interaction, Photon energy, 010402 general chemistry, 7. Clean energy, 01 natural sciences, 0104 chemical sciences, Isotopomers, chemistry.chemical_compound, Coupled cluster, X-ray photoelectron spectroscopy, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Physics::Chemical Physics, Physical and Theoretical Chemistry, Atomic physics
Abstract: Threshold photoelectron spectra (TPES) of the isotopomers of the methyl radical (CH(3), CH(2)D, CHD(2), and CD(3)) have been recorded in the 9.5-10.5 eV VUV photon energy range using third generation synchrotron radiation to investigate the vibrational spectroscopy of the corresponding cations at a 7-11 meV resolution. A threshold photoelectron-photoion coincidence (TPEPICO) spectrometer based on velocity map imaging and Wiley-McLaren time-of-flight has been used to simultaneously record the TPES of several radical species produced in a Ar-seeded beam by dc flash-pyrolysis of nitromethane (CH(x)D(y)NO(2), x + y = 3). Vibrational bands belonging to the symmetric stretching and out-of-plane bending modes have been observed and P, Q, and R branches have been identified in the analysis of the rotational profiles. Vibrational configuration interaction (VCI), in conjunction with near-equilibrium potential energy surfaces calculated by the explicitly correlated coupled cluster method CCSD(T*)-F12a, is used to calculate vibrational frequencies for the four radical isotopomers and the corresponding cations. Agreement with data from high-resolution IR spectroscopy is very good and a large number of predictions is made. In particular, the calculated wavenumbers for the out-of-plane bending vibrations, nu(2)(CH(3)(+)) = 1404 cm(-1), nu(4)(CH(2)D(+)) = 1308 cm(-1), nu(4)(CHD(2)(+)) = 1205 cm(-1), and nu(2)(CD(3)(+)) = 1090 cm(-1), should be accurate to ca. 2 cm(-1). Additionally, computed Franck-Condon factors are used to estimate the importance of autoionization relative to direct ionization. The chosen models globally account for the observed transitions, but in contrast to PES spectroscopy, evidence for rotational and vibrational autoionization is found. It is shown that state-selected methyl cations can be produced by TPEPICO spectroscopy for ion-molecule reaction studies, which are very important for the understanding of the planetary ionosphere chemistry.
Published: 2010
Full Text: View/download PDF

48. Interstellar OH+, H2O+ and H3O+ along the sight-line to G10.6-0.4

Author: Robert Kołos, Raquel Monje, Lorene Samoska, John H. Black, Alessandra Contursi, Russ Shipman, Sabine Philipp-May, Javier R. Goicoechea, M. De Luca, Patrick Hennebelle, M. Perault, José Cernicharo, Carina M. Persson, Morvan Salez, David Teyssier, A. Lorenzani, Eric Herbst, Benjamin Godard, Jacek Krełowski, Cecile Gry, Stephan Schlemmer, Audrey Coutens, Thomas F. Giesen, Jonas Zmuidzinas, Rene Plume, John C. Pearson, Mirisloaw Schmidt, Paul F. Goldsmith, Francois Boulanger, Paul B. Rimmer, Karl M. Menten, Jesús Martín-Pintado, T. A. Bell, Harshal Gupta, Pierre Hily-Blant, Jürgen Stutzki, Maryvonne Gerin, Thomas G. Phillips, K. Klein, Charlotte Vastel, Maja Kazmierczak, D. C. Lis, Pierre Encrenaz, Christine Joblin, Thomas R. Geballe, Emmanuel Dartois, Bhaswati Mookerjea, Alain Cros, Paule Sonnentrucker, Alexander G. G. M. Tielens, David A. Neufeld, Edith Falgarone, Shanshan Yu, Laboratoire d'Etude du Rayonnement et de la Matière en Astrophysique (LERMA), École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université de Cergy Pontoise (UCP), Université Paris-Seine-Université Paris-Seine-Centre National de la Recherche Scientifique (CNRS), Onsala Space Observatory (OSO), Chalmers University of Technology [Göteborg], Department of Physics (OHIO STATE UNIVERSITY), Ohio State University [Columbus] (OSU), Departments of Astronomy and Chemistry, Centro de Astrobiologia [Madrid] (CAB), Instituto Nacional de Técnica Aeroespacial (INTA)-Consejo Superior de Investigaciones Científicas [Madrid] (CSIC), Centro de Investigaciones Biológicas (CSIC), Consejo Superior de Investigaciones Científicas [Madrid] (CSIC), Jet Propulsion Laboratory (JPL), NASA-California Institute of Technology (CALTECH), CalTech-CSO (CSO), California Institute of Technology (CALTECH), Department of Physics and Astronomy [Baltimore], Johns Hopkins University (JHU), Institut d'astrophysique spatiale (IAS), Université Paris-Sud - Paris 11 (UP11)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Centre National d’Études Spatiales [Paris] (CNES), Centre d'étude spatiale des rayonnements (CESR), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Midi-Pyrénées (OMP), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Centre National de la Recherche Scientifique (CNRS), I. Physikalisches Institut [Köln], Universität zu Köln = University of Cologne, Laboratoire d'Astrophysique de Marseille (LAM), Aix Marseille Université (AMU)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS), Laboratoire d'Astrophysique de Grenoble (LAOG), Université Joseph Fourier - Grenoble 1 (UJF)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS), Torun Centre for Astronomy (TCfA), Nicolaus Copernicus University [Toruń], Institute of physical chemistry, Polska Akademia Nauk = Polish Academy of Sciences (PAN), Instituto de Estructura de la Materia (IEM), Tata Institute for Fundamental Research (TIFR), Department of Physics and Astronomy [Calgary], University of Calgary, Copernicus Astronomical Center of the Polish Academy of Sciences (CAMK), Polish Academy of Sciences (PAN), Max-Planck-Institut für Extraterrestrische Physik (MPE), Max-Planck-Institut für Radioastronomie (MPIFR), Gemini Telescope, SRON Netherlands Institute for Space Research (SRON), Sterrewacht Leiden, Universiteit Leiden, Deutsches Zentrum für Luft- und Raumfahrt [Bonn] (DLR), Laboratoire Lasers, Plasmas et Procédés photoniques (LP3), Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS), INAF - Osservatorio Astrofisico di Arcetri (OAA), Istituto Nazionale di Astrofisica (INAF), PRISMAS, European Project, Instrumentation et télédétection, Laboratoire d'Etude du Rayonnement et de la Matière en Astrophysique et Atmosphères = Laboratory for Studies of Radiation and Matter in Astrophysics and Atmospheres (LERMA), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-CY Cergy Paris Université (CY)-École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-CY Cergy Paris Université (CY), Dynamique des milieux interstellaires et plasmas stellaires, Chalmers University of Technology, Centro de Astrobiología, Consejo Superior de Investigaciones Científicas (CSIC)/Instituto Nacional de Técnica Aeroespacial (INTA) (CAB), Departments of Physics, Astronomy and Chemistry, Ohio State University, Institut national des sciences de l'Univers (INSU - CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Centre National d’Études Spatiales [Paris] (CNES), Jet Propulsion Laboratory, California Institute of Technology (JPL), Cahill Center for Astronomy and Astrophysics, California Institute of Technology, Université de Toulouse (UT), Laboratoire de Physique Théorique (LPT), Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), Physikalisches Institut, Universität zu Köln, Institute of Physical Chemistry, Polish Academy of Sciences, Tata Institute of Fundamental Research (TIFR), European Space Astronomy Centre (ESAC), Agence Spatiale Européenne = European Space Agency (ESA), Max-Planck-Institut für Extraterrestriche Physik (MPE), Max-Planck-Institut für Radioastronomie (MPIfR), Gemini telescope, Hilo, Centrum Astronomiczne im. M. Kopernika, Warszawa (CAMK), SRON Netherlands Institute for Space Research, Sterrewacht Leiden, Leiden University, Deutsches Zentrum für Luft- und Raumfahrt (DLR), INAF-Osservatorio Astrofisico di Arcetri (INAF-OAA), École normale supérieure - Paris (ENS Paris), Université Paris-Sud - Paris 11 (UP11)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS), Observatoire Midi-Pyrénées (OMP), Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées, Universität zu Köln, Universiteit Leiden [Leiden], and Centre National de la Recherche Scientifique (CNRS)-Aix Marseille Université (AMU)
Subjects: Hydrogen, Absorption spectroscopy, Opacity, chemistry.chemical_element, FOS: Physical sciences, Astrophysics, 01 natural sciences, Spectral line, Ion, 0103 physical sciences, 010303 astronomy & astrophysics, Physics, Line-of-sight, 010308 nuclear & particles physics, Astronomy and Astrophysics, Astrophysics - Astrophysics of Galaxies, Interstellar medium, [PHYS.ASTR.GA]Physics [physics]/Astrophysics [astro-ph]/Galactic Astrophysics [astro-ph.GA], chemistry, 13. Climate action, Space and Planetary Science, Astrophysics of Galaxies (astro-ph.GA), [SDU.ASTR.GA]Sciences of the Universe [physics]/Astrophysics [astro-ph]/Galactic Astrophysics [astro-ph.GA], Atomic physics, Ground state, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph]
Abstract: International audience; We report the detection of absorption lines by the reactive ions OH+, H2O+and H3O+ along the line of sight to the submillimeter continuum source G10.6-0.4 (W31C). We used the Herschel HIFI instrument in dual beam switch mode to observe the ground state rotational transitions of OH+ at 971 GHz, H2O+ at 1115 and 607 GHz, and H3O+ at 984 GHz. The resultant spectra show deep absorption over a broad velocity range that originates in the interstellar matter along the line of sight to G10.6-0.4 as well as in the molecular gas directly associated with that source. The OH+ spectrum reaches saturation over most velocities corresponding to the foreground gas, while the opacity of the H2O+ lines remains lower than 1 in the same velocity range, and the H3O+line shows only weak absorption. For LSR velocities between 7 and 50 km s-1 we estimate total column densities of N(OH+) >= 2.5 × 1014 cm-2, N(H2O+) ~6 × 1013 cm-2 and N(H3O+) ~4.0 × 1013 cm-2. These detections confirm the role of O+ and OH+ in initiating the oxygen chemistry in diffuse molecular gas and strengthen our understanding of the gas phase production of water. The high ratio of the OH+ by the H2O+ column density implies that these species predominantly trace low-density gas with a small fraction of hydrogen in molecular form.
Published: 2010
Full Text: View/download PDF

49. Accurate determination of low state rotational quantum numbers (J < 4) from planar-jet and liquid nitrogen cell absorption spectra of methane near 1.4 micron

Author: Alain Campargue, Petr Pracna, Samir Kassi, Milan Mašát, Ondřej Votava, J. Heyrovsky Institute of Physical Chemistry, J. Heyrosky´ Institute of Physical Chemistry (IPC), Czech Academy of Sciences [Prague] (CAS), J. Heyrovsky institute of Physical Chemistry, LAsers, Molécules et Environnement (LAME-LIPhy), Laboratoire Interdisciplinaire de Physique [Saint Martin d’Hères] (LIPhy), Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF), J. Heyrovsky Institute of Physical Chemistry (JH-INST), Laboratoire de Spectrométrie Physique (LSP), Université Joseph Fourier - Grenoble 1 (UJF)-Centre National de la Recherche Scientifique (CNRS), and ANR-08-BLAN-2-321467,ANR-08-BLAN,CH4@Titan(2008)
Subjects: [PHYS.PHYS.PHYS-AO-PH]Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph], Jet (fluid), [PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics], [PHYS.PHYS.PHYS-ATOM-PH]Physics [physics]/Physics [physics]/Atomic Physics [physics.atom-ph], 010304 chemical physics, Absorption spectroscopy, Chemistry, Analytical chemistry, General Physics and Astronomy, 02 engineering and technology, Liquid nitrogen, 021001 nanoscience & nanotechnology, Quantum number, 7. Clean energy, 01 natural sciences, Spectral line, Methane, chemistry.chemical_compound, 0103 physical sciences, Supersonic speed, Physical and Theoretical Chemistry, Atomic physics, 0210 nano-technology, Spin (physics), ComputingMilieux_MISCELLANEOUS
Abstract: International audience; An improved procedure for accurate determination of empirical lower state rotational quantum numbers from molecular absorption spectra is demonstrated for methane. We combine the high resolution absorption spectra in the 7070–7300 cm−1 frequency range obtained in liquid nitrogen cooled cryogenic cell (T = 81 K) and in supersonic planar jet expansion (TR = 25 K). Empirical lower state energies of 59 transitions are determined from the ratio of the absolute absorption line strengths at 25 and 81 K. The procedure relies on the realistic description of rotational state populations in the supersonic jet expansion where non-equilibrium nuclear spin isomer distributions are generated due to the rapid cooling. The accuracy of the experimental determination of the lower state energies with J ≤ 3 is found to considerably improve the results of the same approach applied to spectra at 296 and 81 K. The 59 transitions with determined lower J values provide a good starting point for the theoretical interpretation of the highly congested icosad region of methane. In particular, the centres of nine vibrational bands are estimated from the transitions with J = 0 lower state rotational quantum number.
Published: 2010
Full Text: View/download PDF

50. Reaction Networks for Interstellar Chemical Modelling: Improvements and Challenges

Author: Jean-Christophe Loison, Ian W. M. Smith, Wolf D. Geppert, Jürgen Troe, Karin I. Öberg, Harold Linnartz, Eric Herbst, Valentine Wakelam, Pascal Pernot, Marcelino Agúndez, Evelyne Roueff, Herma M. Cuppen, D. Talbi, AMOR 2010, Laboratoire d'astrodynamique, d'astrophysique et d'aéronomie de bordeaux (L3AB), Université Sciences et Technologies - Bordeaux 1-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université Sciences et Technologies - Bordeaux 1-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Observatoire aquitain des sciences de l'univers (OASU), Université Sciences et Technologies - Bordeaux 1-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)-Laboratoire d'Astrophysique de Bordeaux [Pessac] (LAB), Université de Bordeaux (UB)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université de Bordeaux (UB), Ohio State University [Columbus] (OSU), Institute of Physical Chemistry, University of G¨ottingen, Georg-August-University [Göttingen], Laboratoire Univers et Théories (LUTH (UMR_8102)), Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, PSL Research University (PSL)-PSL Research University (PSL)-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Chimie Physique D'Orsay (LCPO), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Radboud university [Nijmegen], Laboratoire Univers et Particules de Montpellier (LUPM), Université de Montpellier (UM)-Université Montpellier 2 - Sciences et Techniques (UM2)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS), Laboratoire d'Astrophysique de Bordeaux [Pessac] (LAB), Université de Bordeaux (UB)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS), Observatoire aquitain des sciences de l'univers (OASU), Université Sciences et Technologies - Bordeaux 1-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS), Université Sciences et Technologies - Bordeaux 1, Institute of Physical Chemistry, Georg-August-Universität Göttingen, Laboratoire de Chimie Physique, Centre Universitaire Paris-Sud-Centre National de la Recherche Scientifique (CNRS), Université Paris-Sud - Paris 11 (UP11), Groupe de Recherche en Astronomie et Astrophysique du Languedoc (GRAAL), Université Montpellier 2 - Sciences et Techniques (UM2)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS), University chemical laboratories, University Chemical Laboratories, Institut für Physikalische Chemie [Göttingen], Max-Planck-Institut für Biophysikalische Chemie - Max Planck Institute for Biophysical Chemistry [Göttingen], Max-Planck-Gesellschaft, Stockholm University (Department of Physics), Stockholm University, Sackler laboratory for Astrophysics, Leiden Observatory [Leiden], Universiteit Leiden [Leiden]-Universiteit Leiden [Leiden], Harvard-Smithsonian Center for Astrophysics (CfA), Smithsonian Institution-Harvard University [Cambridge], Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Diderot - Paris 7 (UPD7), Université Paris-Sud - Paris 11 (UP11)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut des Sciences Moléculaires (ISM), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Hydrogen, chemistry.chemical_element, FOS: Physical sciences, Astrophysics, 010402 general chemistry, 01 natural sciences, Physics, Extraterrestrial Physics, Space Sciences, Astrophysics and Astroparticles, Planetology, Aerospace Technology and Astronautics, 0103 physical sciences, Radiative transfer, Astrochemistry, Reaction rate coefficients, Gas-phase chemistry, Grain-surface chemistry, Chemical modelling, Uncertainty propagation, Sensitivity analysis, 010303 astronomy & astrophysics, Dissociative recombination, ComputingMilieux_MISCELLANEOUS, Astrophysics::Galaxy Astrophysics, Cosmic dust, Molecular cloud, Astronomy and Astrophysics, Circumstellar envelope, Astrophysics - Astrophysics of Galaxies, Accretion (astrophysics), 0104 chemical sciences, Interstellar medium, [PHYS.ASTR.GA]Physics [physics]/Astrophysics [astro-ph]/Galactic Astrophysics [astro-ph.GA], chemistry, Space and Planetary Science, Astrophysics of Galaxies (astro-ph.GA), [SDU.ASTR.GA]Sciences of the Universe [physics]/Astrophysics [astro-ph]/Galactic Astrophysics [astro-ph.GA], [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph]
Abstract: We survey the current situation regarding chemical modelling of the synthesis of molecules in the interstellar medium. The present state of knowledge concerning the rate coefficients and their uncertainties for the major gas-phase processes -- ion-neutral reactions, neutral-neutral reactions, radiative association, and dissociative recombination -- is reviewed. Emphasis is placed on those reactions that have been identified, by sensitivity analyses, as 'crucial' in determining the predicted abundances of the species observed in the interstellar medium. These sensitivity analyses have been carried out for gas-phase models of three representative, molecule-rich, astronomical sources: the cold dense molecular clouds TMC-1 and L134N, and the expanding circumstellar envelope IRC +10216. Our review has led to the proposal of new values and uncertainties for the rate coefficients of many of the key reactions. The impact of these new data on the predicted abundances in TMC-1 and L134N is reported. Interstellar dust particles also influence the observed abundances of molecules in the interstellar medium. Their role is included in gas-grain, as distinct from gas-phase only, models. We review the methods for incorporating both accretion onto, and reactions on, the surfaces of grains in such models, as well as describing some recent experimental efforts to simulate and examine relevant processes in the laboratory. These efforts include experiments on the surface-catalysed recombination of hydrogen atoms, on chemical processing on and in the ices that are known to exist on the surface of interstellar grains, and on desorption processes, which may enable species formed on grains to return to the gas-phase., Comment: Accepted for publication in Space Science Reviews
Published: 2010
Full Text: View/download PDF

Catalog

Books, media, physical & digital resources

See catalog results

Searchworks

Select search scope, currently: Articles Catalog books, media & more in Jio Institute collections Articles journal articles & other e-resources

Search

Search Constraints

Refine your results

Search Limiters

Topic

Publication Year Range

Language

Publication Type

Journal

Region

Database

Publisher

4,146 results on '"Institute of Physical Chemistry"'

Search Results

Catalog

Select search scope, currently: Articles

Catalog

books, media & more in Jio Institute collections

Articles

journal articles & other e-resources