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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. Temperature dependence of the conversion efficiency of photochromic perylene bisimide dithienylcyclopentene triads embedded in a polymer.

Author: ThurnCurrent address: Institute for Physical Chemistry University of Freiburg 79104 Freiburg Germany., Johann, Maier, Johannes, Pärs, Martti, Gräf, Katja, Thelakkat, Mukundan, and Köhler, Jürgen
Abstract: Photochromic molecules that are covalently linked to a strong fluorophore combine the requirements of external control and strong fluorescence, which will become increasingly important for super-resolution microscopy techniques based on single molecules. However, given the bulky structure of such constructs, steric hindrance might affect their photoconversion efficiencies upon immobilising them for imaging purposes. In this study the efficiencies of the photochromic conversion processes of molecular triads that are embedded in a polymer have been studied as a function of temperature. The triads consist of two perylene bisimide dye molecules that are connected via a dithienylcyclopentene photochromic bridge that undergoes a cyclization/cycloreversion reaction upon appropriate illumination. It is found that photochromic switching remains active, even at 5 K, yet with reduced but finite efficiency for the cycloreversion reaction. This might even be an advantage for the achievement of high labelling densities in super-resolution microscopy. [ABSTRACT FROM AUTHOR]
Published: 2017
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13. 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

14. 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

15. 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

16. 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

17. 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

18. Band engineering in Mg3Sb2by alloying with Mg3Bi2for enhanced thermoelectric performanceElectronic supplementary information (ESI) available. See DOI: 10.1039/c7mh00865a

Author: Imasato, Kazuki, Kang, Stephen Dongmin, OhnoPresent address: Institute of Physical Chemistry, Saneyuki, Giessen, Justus-Liebig-University, Heinrich-Buf, and Snyder, G. Jeffrey
Abstract: Mg3Sb2–Mg3Bi2alloys show excellent thermoelectric properties. The benefit of alloying has been attributed to the reduction in lattice thermal conductivity. However, Mg3Bi2-alloying may also be expected to significantly change the electronic structure. By comparatively modeling the transport properties of n- and p-type Mg3Sb2–Mg3Bi2and also Mg3Bi2-alloyed and non-alloyed samples, we elucidate the origin of the highest zTcomposition where electronic properties account for about 50% of the improvement. We find that Mg3Bi2alloying increases the weighted mobility while reducing the band gap. The reduced band gap is found not to compromise the thermoelectric performance for a small amount of Mg3Bi2because the peak zTin unalloyed Mg3Sb2is at a temperature higher than the stable range for the material. By quantifying the electronic influence of Mg3Bi2alloying, we model the optimum Mg3Bi2content for thermoelectrics to be in the range of 20–30%, consistent with the most commonly reported composition Mg3Sb1.5Bi0.5.
Published: 2018
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19. Water photodissociation in free ice nanoparticles at 243 nm and 193 nm.

Author: Viktoriya Poterya, Michal Fárník, Milan OnčákAlso at: J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic., and Petr Slavíček
Abstract: The photolysis of (H2O)n nanoparticles of various mean sizes between 85 and 670 has been studied in a molecular beam experiment. At the dissociation wavelength 243 nm (5.10 eV), a two-photon absorption leads to H-atom production. The measured kinetic energy distributions of H-fragments exhibit a peak of slow fragments below 0.4 eV with maximum at approximately 0.05 eV, and a tail of faster fragments extending to 1.5 eV. The dependence on the cluster size suggests that the former fragments originate from the photodissociation of an H2O molecule in the cluster interior leading to the H-fragment caging and eventually generation of a hydronium H3O molecule. The photolysis of surface molecules yields the faster fragments. At 193 nm (6.42 eV) a single photon process leads to a small signal from molecules directly photolyzed on the cluster surface. The two photon processes at this wavelength may lead to cluster ionization competing with its photodissociation, as suggested by the lack of H-fragment signal increase. The experimental findings are complemented by theoretical calculations. [ABSTRACT FROM AUTHOR]
Published: 2008
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20. Isomeric transitions in size-selected methanol hexamers probed by OH-stretch spectroscopyThe HTML version of this article has been enhanced with colour images.

Author: C. Steinbach, M. FárníkPresent address: J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Prague 8, Czech Republic, I. Ettischer, J. Siebers, and U. Buck
Published: 2006

21. Size-selected methyl lactate clusters: fragmentation and spectroscopic fingerprints of chiral recognition.

Author: Michal FárníkPresent address: J. Heyrovský Institute of Physical Chemistry, Prague 8, Czech Republic., Marcus Weimann, Christof Steinbach, Udo Buck, Nicole BorhoPresent address: Department of Chemistry, University of Alberta, Edmonton, Canada T6G 2G2., Thomas B. Adler, and Martin A. Suhm
Published: 2006

22. The combined unidirectional and local coupling in a spatially one-dimensional model of oscillatory metal electrodissolution. Patch-adaptive simulation study.

Author: Antonis Karantonis, Lesław BieniaszCorresponding author for patch-adaptive simulations. On sabbatical leave from the Molten Salts Department, Institute of Physical Chemistry of the Polish Academy of Sciences, ul. Zagrody 13, 30–318 Cracow, Poland. Tel./fax: (+48) 12 266 03 41. E-mail: nbbienia@cyf-kr.edu.pl, and Seiichiro Nakabayashi
Published: 2003

23. Isomeric transitions in size-selected methanol hexamers probed by OH-stretch spectroscopyThis work was presented at the 7th workshop on “Spectroscopy and Dynamics of Molecular Coils and Aggregates” (March 8–10, 2006) in Göttingen.The HTML version of this article has been enhanced with colour images.

Author: Steinbach, C., FárníkPresent address: J. Heyrovský Institute of Physical Chemistry, M., Czec, Academy of Sciences of the, Ettischer, I., Siebers, J., and Buck, U.
Abstract: We have measured the isomeric transition between the energetically lowest lying isomers of S6and C2-symmetry of (CH3OH)6. The clusters are size-selected by deflection in collisions with He, and the isomers are identified by their infrared spectra of the OH-stretching vibration. The measurements are carried out at three source temperatures 253, 300 and 373 K which correspond to the cluster temperatures 93, 106 and 135 K. The latter ones are estimated by a relaxation model that accounts for the cluster formation and the energy released by the condensation. The transition takes place at a cluster temperature of about 102 K which is in agreement with the Molecular Dynamics simulation of such a transition at about 117 K using a realistic model potential.
Published: 2006
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24. Size-selected methyl lactate clusters: fragmentation and spectroscopic fingerprints of chiral recognition

Author: FárníkPresent address: J. Heyrovský Institute of Physical Chemistry, Michal, 8, Prague, Republic., Czech, Weimann, Marcus, Steinbach, Christof, Buck, Udo, BorhoPresent address: Department of Chemistry, Nicole, Alberta, University of, Edmonton, 2G2., Canada T6G, Adler, Thomas B., and Suhm, Martin A.
Abstract: A comprehensive experimental study of the OH stretching vibrations of size-selected clusters of enantiopure and racemic methyl lactate is presented. For the size selection, we measured angular dependent mass spectra and time-of-flight distributions at the different fragment masses. In this way the fragmentation of these clusters upon electron impact ionization is obtained. The largest fragment masses of the neutral (MLac)nclusters are the protonated (MLac)n−1Hions. The results of a pressure dependent study in an FTIR jet experiment are compared with completely size-selected experiments based on atomic beam deflection and depletion spectroscopy. The size assignments and spectra agree for dimers and trimers. Structures and spectral information for the trimer and the tetramer at density functional and MP2 level are provided. Selective self-aggregation and chiral recognition was observed for homochiral trimers. They exhibit a ring structure bound by OHOH hydrogen bonds. A spectacular switch in the hydrogen bonding topology was observed for the tetramer. The homochiral enantiomer exhibits cooperative OHOH bonding, while the heterochiral version shows isolated OHOC bonding in a symmetric SRSRarrangement. The crucial ingredients for this identification are the size-selective IR spectra with their different shifts and line patterns which are reproduced by the calculations.
Published: 2006
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25. The role of surface electrification on the growth and structural features of titania nanoparticles

Author: BoiadjievaPresent address: Institute of Physical Chemistry, Tzvetanka, Sciences, Bulgarian Academy of, G., Acad., Cappelletti, Giuseppe, Ardizzone, Silvia, Rondinini, Sandra, and Vertova, Alberto
Abstract: TiO2particles, prepared by following a sol–gel preparative route, were submitted to hydrothermal steps performed at solution pH values corresponding, respectively, to positive, zero and negative oxide surface charges. After the hydrothermal step all the samples were thermally treated at 300 and 600 °C, for the same length of time 6 h. The powders, both precursors and calcined samples, were characterized for phase composition–crystallinity, particle morphology and surface electrification features. The role played by the particles electrification during the hydrothermal step in affecting the physico-chemical properties of the powders is discussed.
Published: 2004
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26. Thermal and physical properties of an archetypal organic ionic plastic crystal electrolyte

Author: PasCurrent address: Institute of Physical Chemistry, Steven J., 458, Sonderforschungsberiech, M, University of, Pringle, Jennifer M., Forsyth, Maria, and MacFarlane, Douglas R.
Abstract: The thermal and mechanical properties of the ionic plastic crystal N-methyl-N-propylpyrrolidinium hexafluorophosphate have been investigated and the effect of adding a miscible polymer on the mechanical properties is reported. The physical properties of the pure plastic crystal are discussed in detail and for the first time the change in volume with temperature for an organic ionic plastic crystal is reported. An increase in volume in conjunction with increased conductivity supports the hypothesis that ion conduction within the plastic crystal proceeds viadefects. For phase I and melting, the magnitude of the volume increase does not appear to be in accord with the subtle change in conductivity. This is suggested to be due to the presence of layer defects, which allow for correlated ionic motion, which does not increase the conductivity. Addition of polymer to the plastic crystal significantly increases the mechanical strength, decreases the conductivity, but has little effect on the phase behaviour, further supporting the hypothesis of vacancy-mediated conduction.
Published: 2004
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27. Application of Smoluchowski's generalized theory to the kinetics of triplet–triplet annihilation of anthracene in viscous solution after long-pulse excitation

Author: NickelPassed away on the 27012002., B., BorowiczPresent address: Institute of Physical Chemistry, P., Sciences, Polish Academy of, 4452, Kasprzaka, Ruth, A. A., and Troe, J.
Abstract: The validity of Smoluchowski's theory is demonstrated by its application to the bimolecular triplet–triplet annihilation TTA T1 T1 → S0 S1in viscous solution. For that purpose the delayed S1 → S0fluorescence of anthracene in cis-1,3-dimethylcyclohexanetrans-1,4-dimethylcyclohexane 11 was measured after UV excitation with long laser pulses ∼30 μs in a temperature range where TTA is completely diffusion controlled. Through the adequate treatment of the kinetics of TTA upon spatially homogeneous and spatially periodic excitation which is partially based on the results of previous publications absolutevalues for the diffusion coefficients Dof triplet molecules, for the effective annihilation distance RAand for the Förster radius RSTof heterogeneous annihilation S1 T1 → S0 Tnwere determined. The temperature dependence of all three parameters D, RAand RST is discussed. From the decrease of RAwith increasing temperature, the parameters Aand Lcan be determined, which define the exponential distance dependence of the annihilation of a triplet pair in the kinetic model of Butler and Pilling 1977. Differences of the two models and applicability criteria are discussed.
Published: 2004
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28. Structure and hydrogen bonding of 2-aminopyridine·H2Onn 1, 2 studied by infrared ion depletion spectroscopy

Author: Wu, Ronghu, NachtigallPermanent address: Heyrovský Institute of Physical Chemistry of the Academy of Sciences of, Petr, and Brutschy, Bernhard
Abstract: The electronic and vibrational spectra of the clusters of 2-aminopyridine 2AP with one and two water molecules have been measured by using resonant two-photon ionization R2PI and IR predissociation spectroscopy IRR2PI. Under microhydration the aromatic nitrogen forms a very strong hydrogen bond with water. The H-bonded OH stretching vibrations for 2AP·H2O and 2AP·H2O2exhibit a red shift of 254 and 413 cm−1, respectively, relative to the symmetric stretching vibration of free water. In addition water forms an H-bond with the amino group, resulting in a cyclic structure for both clusters. However, due to a reduced geometrical strain, the 2AP·H2O2cluster exhibits considerably stronger H-bonds than the 2AP·H2O cluster. The results of calculations performed both at the density functional and perturbation level of theory are also reported. Theoretical results are in good agreement with the experimental data. In addition, they bring further insight into the structure and energetics of the microhydrated molecule.
Published: 2004
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29. Rotational dependence of the dipole moment of 13CH3F

Author: Cosléou, J., Cacciani, P., Herlemont, F., Khelkhal, M., Lecointre, J., PracnaPermanent address: J. Heyrovsky Institute of Physical Chemistry, P., and Cz, Academy of Sciences of the
Abstract: When a gas sample of 13CH3F is prepared with a population of spin isomers far from the equilibrium given by nuclear spin statistics, it relaxes towards this equilibrium with an exponential decay rate. This rate is increased by submitting the molecules to a static electric field, emphasizing the role of the magnetic intramolecular interactions and of the collisions in the “quantum relaxation” process P. L. Chapovsky, Phys. Rev. A, 1991, 43, 3624–3630; P. Cacciani, J. Cosléou, F. Herlemont, M. Khelkhal and J. Legrand, Eur. Phys. J. D., 2003, 22, 199–207. We scanned the conversion spectrum, i.e.the conversion rate in presence of a static electric field versusthe strength of the field, for electric fields up to 15 kV cm−1. The quantitative reproduction of this conversion spectrum required to take into account the rotational dependence of the dipole moment of 13CH3F, which is expanded as μ μ0 μJJ 1 μKK2. The newly determined μJand μKparameters are compared to the values expected using the Watson's centrifugal distortion dipole coefficients, which can be derived from the geometry, the force field, and the derivatives of the dipole moment with respect to either symmetry or normal coordinates of the molecule J. K. G. Watson, J. Mol. Spectrosc., 1971, 40, 536–544. Constraining the μ0and μKvalues to 1.8579 D and −3.7 × 10−5D respectively, we determined a μJvalue between 1.1 × 10−5D and 4.4 × 10−5D, in agreement with the theoretical value μJ 1.50 × 10−5D.
Published: 2004
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30. Supercritical CO2modified organic ionic plastic crystals

Author: PasCurrent Address: Institute for Physical Chemistry, Steven J., Muenster, University of, 30, Corrensstrasse, 481, Efthimiadis, Jim, Pringle, Jennifer M., Forsyth, Maria, and MacFarlane, Douglas R.
Abstract: The treatment of an organic ionic plastic crystal electrolyte N-methyl-N-ethylpyrrolidinium tetrafluoroborate P1,2BF4 with supercritical CO2resulted in a substantial increase in ionic conductivity, especially in the more highly ordered solid phases of the material, and also stabilised the most ordered phase to lower temperatures.
Published: 2004
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31. 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
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32. 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
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33. 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
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34. 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
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35. 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
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36. Kuiper belt asteroid (486958) Arrokoth is a hexagonal pyramid parted

Author: Soumbatov-Gur, Alex, Karpov Institute of Physical Chemistry, and Karpov institute of physical chemistry
Subjects: [PHYS]Physics [physics], [SDU]Sciences of the Universe [physics]
Abstract: Bi-lobed asteroid Arrokoth is shown to consist of two hexagonal pyramids connected with a stretched neck. Their formation is accounted for by fission of a larger body in a landslide manner. The simple rationale helps visualize the asteroid ancestor as well as provides consistent rationalization of Arrokoth's properties. Its density is amended to be twice less than previously proposed.
Published: 2020

37. 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
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38. 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
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39. Electron transfer in a covalent dye–cobalt catalyst assembly – a transient absorption spectroelectrochemistry perspective

Author: Ying Zhang, Benjamin Dietzek, Vincent Artero, Linda Zedler, Sebastian Bold, Julien Massin, Murielle Chavarot-Kerlidou, 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, Laboratoire de Chimie et Biologie des Métaux (LCBM - UMR 5249), 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), 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), Institute for Physical Chemistry and Center for Energy and Environmental Chemistry, Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-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)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])
Subjects: inorganic chemicals, Quenching (fluorescence), 010405 organic chemistry, Chemistry, Metals and Alloys, chemistry.chemical_element, [CHIM.CATA]Chemical Sciences/Catalysis, General Chemistry, 010402 general chemistry, Photochemistry, 01 natural sciences, Catalysis, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Cobalt catalyst, Electron transfer, Oxidation state, Covalent bond, Ultrafast laser spectroscopy, Materials Chemistry, Ceramics and Composites, [CHIM]Chemical Sciences, Cobalt
Abstract: International audience; Various oxidation states of the catalytically active cobalt center in a covalent dyad were electrochemically prepared and the light-induced excited-state processes were studied. Virtually identical deactivation processes are observed, irrespective of the oxidation state of the cobalt center, varying from CoIII to CoI, indicating the absence of oxidative quenching within the dye-catalyst assembly.
Published: 2018
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40. 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
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41. 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
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42. 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
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43. 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
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44. Influence of pretreatment and reaction conditions on the catalytic activity of HAlBEA and CoHAlBEA zeolites in vinyl chloride formation from 1,2-dichloroethane

Author: Yannick Millot, Anna Śrębowata, Christophe Calers, Stanislaw Dzwigaj, Emil Kowalewski, Dmytro Lisovytskiy, Laetitia Valentin, Izabela Kaminska, Institute of Physical Chemistry Polish Academy of Sciences, Institute of Physical Chemistry, PAS, Laboratoire de Réactivité de Surface (LRS), and Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)
Subjects: chloride, Co BEA, 02 engineering and technology, 1,2-Dichloroethane, Dehydrochlorination, 010402 general chemistry, 01 natural sciences, Vinyl chloride, Catalysis, chemistry.chemical_compound, Physisorption, [CHIM]Chemical Sciences, General Materials Science, Zeolite, Chemistry, General Chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 0104 chemical sciences, Monomer, Mechanics of Materials, 2-Dichloroethane, 0210 nano-technology, Brønsted–Lowry acid–base theory, Selectivity, Vinyl, Nuclear chemistry
Abstract: International audience; HAlBEA and CoHAlBEA zeolite catalysts treated at 523 K or 873 K for 3 h in Ar, H2/Ar or air flows, respectively, were investigated in catalytic dehydrochlorination of 1,2-dichloroethane (DCE). The dehydrochlorination of DCE on these zeolite catalysts resulted in almost 100% selectivity to vinyl chloride (VC) monomer. It was demonstrated that different conditions of pretreatment of zeolite catalysts resulted in varied amount of Lewis and Brønsted acid sites responsible of the catalytic activity, stability and selectivity. HAlBEA and CoHAlBEA zeolites treated in the Ar flow showed the best activities in the dehydrochlorination of DCE, while the same zeolites treated in the air flow demonstrated the best time-on-stream stability. To clarify the reasons of differences in the catalytic behavior of HAlBEA and CoHAlBEA treated in the various conditions N2 physisorption, XRD, TPH, TEM, XPS, NMR and FTIR measurements were performed.
Published: 2018
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45. 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
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46. Catalytic properties of AgAlBEA and AgSiBEA zeolites in H 2 -promoted selective reduction of NO with ethanol

Author: S. M. Orlyk, Stanislaw Dzwigaj, Sergiy O. Soloviev, Pavlo I. Kyriienko, Nataliia Popovych, L.V. Pisarzhevskii Institute of Physical Chemistry, National Academy of Sciences of Ukraine (NASU), L.V. Pisarzhevsky Institute of Physical Chemistry of the NAS of Ukraine, Laboratoire de Réactivité de Surface (LRS), and Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Subjects: Silver, Hydrogen, Inorganic chemistry, chemistry.chemical_element, Infrared spectroscopy, 02 engineering and technology, 010402 general chemistry, Photochemistry, 7. Clean energy, 01 natural sciences, Catalysis, Nanoclusters, chemistry.chemical_compound, X-ray photoelectron spectroscopy, SCR of NO, Pyridine, [CHIM]Chemical Sciences, General Materials Science, Selective reduction, Hydrogen effect, Ethanol, General Chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 0104 chemical sciences, chemistry, Mechanics of Materials, BEA zeolite, 0210 nano-technology
Abstract: International audience; Physicochemical properties of AgAlBEA and AgSiBEA zeolites were investigated by IR spectroscopy with pyridine, H2-TPR, XPS and diffuse reflectance UV–vis spectroscopy. Their catalytic properties were studied in the process of selective reduction of NO with ethanol and in the presence of hydrogen in reaction mixture. AgAlBEA catalysts show wider temperature range of NO-to-N2 conversion in the process of SCR with ethanol than AgSiBEA. Promoting H2-effect on the SCR of NO with ethanol is observed in the presence of AgAlBEA catalysts, whereas it is almost absent for AgSiBEA. A key factor for better performance of AgAlBEA than AgSiBEA is the presence of silver nanoclusters in close proximity of strong Lewis acidic sites.
Published: 2015
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47. A ππ* State Enables Photoaccumulation of Charges on a π‑ExtendedDipyridophenazine Ligand in a Ru(II) Polypyridine Complex

Author: Philipp Traber, Martine Demeunynck, Jean-François Lefebvre, Stephan Kupfer, Ying Zhang, Julian Schindler, Benjamin Dietzek, Stefanie Gräfe, Murielle Chavarot-Kerlidou, 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, 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]), 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]), 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), and Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)
Subjects: education.field_of_study, Polypyridine complex, 010405 organic chemistry, Ligand, Population, Phenazine, 010402 general chemistry, Resonance (chemistry), 01 natural sciences, 0104 chemical sciences, 3. Good health, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Crystallography, chemistry.chemical_compound, General Energy, chemistry, Moiety, [CHIM]Chemical Sciences, Density functional theory, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Physical and Theoretical Chemistry, education, Electronic density
Abstract: International audience; The pi-extended dipyrido[3,2-a:2',3'-c]phenazine (dppz) ligand of the Ru(II) complex [Ru(bpy)(2)(oxo-dppqp)](PF6)(2) (oxo-dppqp = dipyrido[3,2-a:2',3'-c]pyrido[2?,3?-4,5,6]quinolino[2,3-h]phenazin-15-one, bpy = 2,2'-bipyridine) enables the mononuclear complex for visible-light-driven accumulation of two electrons on a single ligand structure. Although this has been shown before, the excited-state physics underlying this promising feature are exploited in this work. The photophysics of the complex was investigated by excitation-wavelength-dependent resonance Raman and transient absorption spectroscopy in combination with time-dependent density functional theory. The results show that excitation with visible light leads to the population of the two excited-state branches: (i) the population of a short-lived (MLCT)-M-3 state in which the excess electronic density is localized on the pyridoquinolinone moiety of the extended ligand (t = 105 ps) and (ii) the population of a more long-lived (3)pi pi* state (iota = 9 ns). Notably, the long-lived (3)pi pi* state rather than a 3MLCT state is prone to reductive quenching by the sacrificial electron donor and, hence, presents the critical excited-state intermediate in the photochemical charge accumulation experiments
Published: 2018
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48. 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
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49. Amide-to-triazole switch vs. in vivo NEP-inhibition approaches to promote radiopeptide targeting of GRPR-positive tumors

Author: Berthold A. Nock, Theodosia Maina, Ibai E. Valverde, Aikaterini Kaloudi, Thomas L. Mindt, Institute of Physical Chemistry 'Demokritos' (IPC), National Center for Scientific Research 'Demokritos' (NCSR), Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] (ICMUB), Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC), Department of Biomedical Imaging and Image-guided Therapy [Medical University of Vienna], Medizinische Universität Wien = Medical University of Vienna, Ludwig Boltzmann Institute Applied Diagnostics [General Hospital of Vienna] (LBI AD), General Hospital of Vienna, Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institute of Physical Chemistry 'Demokritos' ( IPC ), National Center for Scientific Research 'Demokritos' ( NCSR ), Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] ( ICMUB ), Université de Bourgogne ( UB ) -Centre National de la Recherche Scientifique ( CNRS ), Medical University of Vienna, and Ludwig Boltzmann Institute Applied Diagnostics [General Hospital of Vienna] ( LBI AD )
Subjects: Male, Cancer Research, Biodistribution, Stereochemistry, Pharmacology, [ CHIM ] Chemical Sciences, 030218 nuclear medicine & medical imaging, Polyethylene Glycols, 03 medical and health sciences, chemistry.chemical_compound, Heterocyclic Compounds, 1-Ring, Mice, 0302 clinical medicine, In vivo, Cell Line, Tumor, Radioligand, Animals, Humans, [CHIM]Chemical Sciences, Radiology, Nuclear Medicine and imaging, Tissue Distribution, Neprilysin, Tumor targeting GRPR-radioligand 177Lu-bombesin Triazolyl-bombesin NEP-inhibition, Phosphoramidon, Glycopeptides, Bombesin, Triazoles, Amides, In vitro, 3. Good health, Bioavailability, Receptors, Bombesin, chemistry, 030220 oncology & carcinogenesis, Molecular Medicine
Abstract: Introduction Radiolabeled bombesin (BBN)-analogs have been proposed for diagnosis and therapy of gastrin-releasing peptide receptor (GRPR)-expressing tumors, such as prostate, breast and lung cancer. Metabolic stability represents a crucial factor for the success of this approach by ensuring sufficient delivery of circulating radioligand to tumor sites. The amide-to-triazole switch on the backbone of DOTA-PEG 4 -[Nle 14 ]BBN(7–14) ( 1 ) was reported to improve the in vitro stability of resulting 177 Lu-radioligands. On the other hand, in-situ inhibition of neutral endopeptidase (NEP) by coinjection of phosphoramidon (PA) was shown to significantly improve the in vivo stability and tumor uptake of biodegradable radiopeptides. We herein compare the impact of the two methods on the bioavailability and localization of 177 Lu-DOTA-PEG 4 -[Nle 14 ]BBN(7–14) analogs in GRPR-positive tumors in mice. Methods The 1,4-disubstituted [1–3]-triazole was used to replace one ( 2 : Gly 11 -His 12 ; 3 : Ala 9 -Val 10 ) or two ( 4 : Ala 9 -Val 10 and Gly 11 -His 12 ) peptide bonds in 1 (reference) and all compounds were labeled with 177 Lu. Each of [ 177 Lu] 1 –[ 177 Lu] 4 was injected without (control) or with PA in healthy mice. Blood samples collected 5min post-injection (pi) were analyzed by HPLC. Biodistribution of [ 177 Lu] 1 –[ 177 Lu] 4 was conducted in SCID mice bearing human prostate adenocarcinoma PC-3 xenografts at 4h pi. Groups of 4 animals were injected with radioligand, alone (controls), or with coinjection of PA, or of a mixture of PA and excess and [Tyr 4 ]BBN to determine GRPR-specificity of uptake (Block). Results The in vivo stability of the radioligands was: [ 177 Lu] 1 (25% intact), [ 177 Lu] 2 (45% intact), [ 177 Lu] 3 (30% intact) and [ 177 Lu] 4 (40% intact). By PA-coinjection these values notably increased to 90%–93%. Moreover, treatment with PA induced an impressive and GRPR-specific uptake of all radioligands in the PC-3 xenografts at 4h pi: [ 177 Lu] 1 : 4.7±0.4 to 24.8±4.9%ID/g; [ 177 Lu] 2 : 8.3±1.2 to 26.0±1.1%ID/g; [ 177 Lu] 3 : 6.6±0.4 to 21.3±4.4%ID/g; and [ 177 Lu] 4 : 4.8±1.6 to 13.7±3.8%ID/g. Conclusions This study has shown that amide-to-triazole substitutions in 177 Lu-DOTA-PEG 4 -[Nle 14 ]BBN(7–14) induced minor effects on bioavailability and tumor uptake in mice models, whereas in-situ NEP-inhibition(s) by PA impressively improved in vivo profiles.
Published: 2017
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50. Gallium(III) and Indium(III) Complexes with meso-Monophosphorylated Porphyrins: Synthesis and Structure. A First Example of Dimers Formed by the Self-Assembly of meso-Porphyrinylphosphonic Acid Monoester

Author: Yulia Yu. Enakieva, Roger Guilard, Yulia G. Gorbunova, G. A. Kirakosyan, Sergey E. Nefedov, Aslan Yu. Tsivadze, Alla Bessmertnykh-Lemeune, Marina V. Volostnykh, Christine Stern, Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences [Moscow] ( RAS ), Institut de Chimie Moléculaire de l'Université de Bourgogne [Dijon] ( ICMUB ), Université de Bourgogne ( UB ) -Centre National de la Recherche Scientifique ( CNRS ), Kurnakov Institute of General and Inorganic Chemistry, CNRS RAS Russian Foundation for Basic Research 12-03-93110, A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences [Moscow] (RAS), 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), N. S. Kurnakov Institute of General and Inorganic Chemistry (IGIC), and Centre National de la Recherche Scientifique (CNRS)-Université de Bourgogne (UB)-Institut de Chimie du CNRS (INC)
Subjects: coordination, chloride, Dimer, Substituent, chemistry.chemical_element, malaria pigment, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, 010402 general chemistry, Photochemistry, 01 natural sciences, supramolecular chemistry, Inorganic Chemistry, chemistry.chemical_compound, octaethylporphyrin, Molecule, cleavage, Physical and Theoretical Chemistry, Gallium, soluble diamagnetic model, molecular-structure, 010405 organic chemistry, crystal-structure, [ CHIM.INOR ] Chemical Sciences/Inorganic chemistry, Phosphonate, Porphyrin, 0104 chemical sciences, Crystallography, chemistry, oxides, Single crystal, Indium
Abstract: International audience; The synthesis and structural characterization, both in solution by means of H-1 and P-31 NMR and UV-vis spectroscopies and in the solid state by X-ray diffraction on single crystal, of a series of gallium(III) and indium(III) meso-mono(diethoxyphosphoryl)porphyrins bearing different peripheral substituents as well as the corresponding monoesters and phosphonic acids are reported. This work describes the first example of the X-ray structure of a self-assembled dimer formed via strong binding between the oxygen atom of the phosphonate substituent and the gallium(III) cations of adjacent porphyrin molecules [Ga-O = 1.9708(13) angstrom].
Published: 2017
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