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9 results on '"CCLRC"'

1. Coordination Complexes Exhibiting Anion···π Interactions: Synthesis, Structure, and Theoretical Studies

Author

Simon J. Teat, Guillem Aromí, Olivier Roubeau, P. M. Deya, Patrick Gamez, David Quiñonero, Antonio Frontera, Elizabeth J. Shotton, Leoní A. Barrios, Departament de Quimica Inorganica, Universitat de Barcelona (UB), Depatment of Chemistry, Universitat de les Illes Balears, Universitat de les Illes Balears (UIB), Leiden Institute of Chemistry, Universiteit Leiden [Leiden], Centre de recherches Paul Pascal (CRPP), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), CCLRC Daresbury Laboratory, Advanced Light Source [LBNL Berkeley] (ALS), and Lawrence Berkeley National Laboratory [Berkeley] (LBNL)

Subjects
Anions, Models, Molecular, Denticity, Stereochemistry, chemistry.chemical_element, Electrons, Ligands, 010402 general chemistry, 01 natural sciences, Ion, Inorganic Chemistry, chemistry.chemical_compound, Ab initio quantum chemistry methods, Molecule, [CHIM.COOR]Chemical Sciences/Coordination chemistry, Perchloric acid, Physical and Theoretical Chemistry, Triazine, Perchlorates, Molecular Structure, Triazines, 010405 organic chemistry, Ligand, [CHIM.MATE]Chemical Sciences/Material chemistry, Copper, 3. Good health, 0104 chemical sciences, Crystallography, chemistry, chimie de coordination, Crystallization
Abstract

The polydentate ligand 2,4,6-tris(dipyridin-2-ylamino)-1,3,5-triazine (dpyatriz) in combination with the Cu(ClO 4) 2/CuX 2 salt mixtures (X (-) = Cl (-), Br (-), or N 3 (-)) leads to the formation of molecular coordination aggregates with formulas [Cu 3Cl 3(dpyatriz) 2](ClO 4) 3 ( 2), [Cu 3Br 3(dpyatriz) 2](ClO 4) 3 ( 3), and [Cu 4(N 3) 4(dpyatriz) 2(DMF) 4(ClO 4) 2](ClO 4) 2 ( 4). These complexes consist of two dpyatriz ligands bridged via coordination to Cu (II) and disposed either face-to-face in an eclipsed manner ( 2 and 3) or parallel and mutually shifted in one direction. The copper ions complete their coordination positions with Cl (-) ( 2), Br (-) ( 3), or N 3 (-), ClO 4 (-), and N, N-dimethylformamide (DMF) ( 4) ligands. All complexes crystallize together with noncoordinate ClO 4 (-) groups that display anion...pi interactions with the triazine rings. These interactions have been studied by means of high level ab initio calculations and the MIPp partition scheme. These calculations have proven the ClO 4 (-)...[C 3N 3] interactions to be favorable and have revealed a synergistic effect from the combined occurrence of pi-pi stacking of triazine rings and the interaction of these moieties with perchlorate ions, as observed in the experimental systems.

Published
2008
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2. All-conjugated cationic copolythiophene 'rod-rod' block copolyelectrolytes: Synthesis, optical properties and solvent-dependent assembly

Author

Julien De Winter, Amandine Thomas, Rachel C. Evans, Ann E. Terry, Niko Van den Brande, Roberto Lazzaroni, Philippe Dubois, Richard K. Heenan, Bruno Van Mele, Sébastien Richeter, Judith E. Houston, Sébastien Clément, Pascal Gerbaux, Ahmad Mehdi, Michèle Chevrier, Evans, Rachel Claire [0000-0003-2956-4857], Apollo - University of Cambridge Repository, Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-Institut de Chimie du CNRS (INC), Materials and Device Photochemistry Group, Trinity University, Physical Chemistry and Polymer Science (FYSC), Vrije Universiteit Brussel (VUB), Mass Spectrometry Research Group, Université de Mons (UMons), ISIS-CCLRC, STFC Rutherford Appleton Laboratory (RAL), Science and Technology Facilities Council (STFC)-Science and Technology Facilities Council (STFC), Laboratoire de Chimie des Matériaux et Polymères (SMPC), Université de Mons-Hainaut, and Service de Chimie des Matériaux Nouveaux

Subjects
3403 Macromolecular and Materials Chemistry, Condensation polymer, Polymers and Plastics, genetic structures, 34 Chemical Sciences, [CHIM.ORGA]Chemical Sciences/Organic chemistry, Organic Chemistry, Cationic polymerization, Bioengineering, [CHIM.MATE]Chemical Sciences/Material chemistry, Conjugated system, Biochemistry, eye diseases, Solvent, chemistry.chemical_compound, Monomer, [CHIM.POLY]Chemical Sciences/Polymers, chemistry, Polymer chemistry, Amphiphile, Side chain, Pyridinium, 40 Engineering
Abstract

International audience; Amphiphilic diblock copolythiophenes were synthesised by an efficient two-step synthetic strategy. The diblock copolyelectrolytes were obtained via the quasi-living Kumada catalyst-transfer polycondensation followed by quaternisation of the bromohexyl side chains of one of the monomer constituents into N-methylimidazolium, pyridinium, trimethylammonium or trimethylphosphonium units. The effects of the nature of the charged group on the thermal properties were investigated by Rapid Heat-Cool (RHC) calorimetry measurements. The solvent-driven assembly of these block copolyelectrolytes in chloroform (CHCl3), water, methanol (MeOH), water:MeOH mixtures and in subsequently prepared thin films was investigated using a combination of photoluminescence, scattering and microscopic techniques. The rigid rod-structure of the block copolyelectrolytes lead to the formation of core-shell cylindrical aggregates in solution, with features determined by the nature of the solvent. AFM studies revealed that the aggregates formed in solution can be transferred into thin films allowing for the reliable control of the self-organisation process and the resulting nanoscale architecture.

Published
2014
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3. Rearrangement of the structure during nucleation of a cordierite glass doped with TiO2

Author

Dominique Massiot, Alex C. Hannon, Valérie Montouillout, Marie Guignard, Laurent Cormier, Nicolas Menguy, Brigitte Beuneu, Institut de minéralogie et de physique des milieux condensés (IMPMC), Université Pierre et Marie Curie - Paris 6 (UPMC)-Université Paris Diderot - Paris 7 (UPD7)-Institut de Physique du Globe de Paris (IPG Paris)-Centre National de la Recherche Scientifique (CNRS), Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Université d'Orléans (UO)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Fédération RMN du Solide à Hauts Champs (FRMN-SHC), ISIS Facility, STFC Rutherford Appleton Laboratory (RAL), Science and Technology Facilities Council (STFC)-Science and Technology Facilities Council (STFC), Laboratoire Léon Brillouin (LLB - UMR 12), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), ANR-06-JCJC-0010,NUCLEVITRO,Mechanisms of nucleation in nanocomposite glass-ceramics(2006), Université Pierre et Marie Curie - Paris 6 (UPMC)-IPG PARIS-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Université Paris-Saclay, and CCLRC Rutherford Appleton Laboratory (RAL)

Subjects
Ceramics, Magnetic Resonance Spectroscopy, Materials science, nucleation, Oxide, Nucleation, FOS: Physical sciences, Magnesium aluminosilicate, Cordierite, 02 engineering and technology, Neutron scattering, engineering.material, 010402 general chemistry, 01 natural sciences, chemistry.chemical_compound, neutron diffraction, Microscopy, Electron, Transmission, X-Ray Diffraction, Glassy matrix, General Materials Science, [PHYS.COND.CM-DS-NN]Physics [physics]/Condensed Matter [cond-mat]/Disordered Systems and Neural Networks [cond-mat.dis-nn], glass, Neutrons, Titanium, solid state NMR, Condensed Matter - Materials Science, Models, Statistical, Physics, Doping, Temperature, Materials Science (cond-mat.mtrl-sci), Disordered Systems and Neural Networks (cond-mat.dis-nn), [CHIM.MATE]Chemical Sciences/Material chemistry, Condensed Matter - Disordered Systems and Neural Networks, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 0104 chemical sciences, Characterization (materials science), chemistry, Chemical physics, electronic microscopy, engineering, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], Nanoparticles, Crystallization, 0210 nano-technology
Abstract

International audience; Ordering of disordered materials occurs during the activated process of nucleation that requires the formation of critical clusters that have to surmount a thermodynamic barrier. The characterization of these clusters is experimentally challenging but mandatory to improve nucleation theory. In this paper, the nucleation of a magnesium alumino-silicate glass containing the nucleating oxide TiO 2 is investigated using neutron scattering with Ti isotopic substitution and 27 Al NMR. We identified the structural changes induced by the formation of crystals around Ti atoms and show important structural reorganization of the glassy matrix.

Published
2010
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4. A Supramolecular Ladderlike Structure Formed by the Auto-Assembly of Benzene-1,3,5-triphosphonic Acid

Author

Paul-Alain Jaffrès, Gary B. Hix, Vincent Caignaert, Loïc Le Pluart, Jean Michel Rueff, John E. Warren, Nottingham Trent University, Laboratoire de cristallographie et sciences des matériaux (CRISMAT), École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Institut de Chimie du CNRS (INC), Laboratoire de chimie moléculaire et thioorganique (LCMT), Centre National de la Recherche Scientifique (CNRS)-Institut Normand de Chimie Moléculaire Médicinale et Macromoléculaire (INC3M), Institut de Chimie du CNRS (INC)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-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)-Université Le Havre Normandie (ULH), Normandie Université (NU)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Institut de Chimie du CNRS (INC)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU), CCLRC Daresbury Laboratory, Chimie, Electrochimie Moléculaires et Chimie Analytique (CEMCA), Institut Brestois Santé Agro Matière (IBSAM), Université de Brest (UBO)-Université de Brest (UBO)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Institut de Chimie du CNRS (INC)-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), Normandie Université (NU)-Institut Normand de Chimie Moléculaire Médicinale et Macromoléculaire (INC3M), Normandie Université (NU)-Université Le Havre Normandie (ULH), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Le Havre Normandie (ULH), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), Université de Brest (UBO)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut Brestois Santé Agro Matière (IBSAM), and Université de Brest (UBO)

Subjects
010405 organic chemistry, Chemistry, Hydrogen bond, [CHIM.ORGA]Chemical Sciences/Organic chemistry, Synthon, Supramolecular chemistry, Aromaticity, General Chemistry, Crystal structure, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, 3. Good health, chemistry.chemical_compound, Crystallography, General Materials Science, Metal-organic framework, Trimesic acid, Benzene
Abstract

International audience; Benzene-1,3,5-triphosphonic acid 1, which is the phosphonic acid analogue of trimesic acid, forms a columnar packing in the solid state that is characterized by strong hydrogen bonds (contact distances O···O ranging from 2.55 to 2.60 Å) and π-stacking (d(Ar···Ar) = 3.89 and 3.69 Å) involving the aromatic rings, thus designing an organic supramolecular ladder structure by auto-assembly.

Published
2007
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5. Preparation and Structure of Three Solvatomorphs of the Polymer [Co(dbm)2(4ptz)]n: Spin Canting Depending on the Supramolecular Organization

Author

Olivier Roubeau, Leoní A. Barrios, Simon J. Teat, Joan Ribas, Jordi Ribas-Arino, Patrick Gamez, Guillem Aromí, Departament de Quimica Inorganica, Universitat de Barcelona (UB), Departament de Quimica Fisica and CERQT, Leiden Institute of Chemistry, Universiteit Leiden [Leiden], Centre de recherches Paul Pascal (CRPP), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and CCLRC Daresbury Laboratory

Subjects
chemistry.chemical_classification, 010405 organic chemistry, Hydrogen bond, Stereochemistry, Intermolecular force, Stacking, Supramolecular chemistry, Polymer, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, law.invention, Inorganic Chemistry, Crystallography, chemistry, law, Physical and Theoretical Chemistry, Crystallization, Cis–trans isomerism, Spin canting
Abstract

9 pages; International audience; The syntheses and X-ray structures of three isomeric 1D coordination polymers are reported. The complex [Co- (dbm)2(MeOH)2] (1) was used as a precursor in these reactions. The preparation and structure of 1 is also presented; this mononuclear complex is in the cis configuration because this allows the formation of a network of intermolecular hydrogen bonds in the solid state. Reaction of 1 with 2,4,6-tris-(4-pyridyl)-1,3,5-triazine (4ptz) yields the polymers [Co(dbm)2(4ptz)]nânTHF (2a), [Co(dbm)2(4ptz)]nâ0.75nTHFâ0.5nEt2O (2b), and [Co(dbm)2(4ptz)]nâ3nDMF (2c) in the form of zigzag chains, instead of the expected honeycomb architectures. This is because of the establishment of extended ð-ð stacking throughout these solids, which could not have occurred otherwise. Compounds 2a, 2b, and 2c are solvatomorphs, and formation of either one of them depends on the exact conditions of crystallization, which lead to significant differences in the supramolecular organization of the chains. Bulk magnetic measurements on 2a reveal weak antiferromagnetic exchange within the chains and small ordering throughout the solid that results in the manifestation of the phenomenon of spin canting, whereas for 2c the different supramolecular organization causes the antiferromagnetic exchange not to result in spin canting.

Published
2007
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6. Polycationic Disorder in [Bi6O4(OH)4](NO3)6: Structure Determination Using Synchrotron Radiation and Microcrystal X-Ray Diffraction

Author

Francis Abraham, Natacha Henry, Pascal Roussel, Olivier Mentré, Elisabeth Maclean, Unité de Catalyse et Chimie du Solide - UMR 8181 (UCCS), Université d'Artois (UA)-Centrale Lille-Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), Council for the Central Laboratory of the Research Councils (CCLRC), STFC Rutherford Appleton Laboratory (RAL), Science and Technology Facilities Council (STFC)-Science and Technology Facilities Council (STFC), and Centrale Lille Institut (CLIL)-Université d'Artois (UA)-Centrale Lille-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Lille

Subjects
Diffraction, Thermogravimetric analysis, Synchrotron radiation, chemistry.chemical_element, 02 engineering and technology, Crystal structure, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, 010402 general chemistry, 01 natural sciences, Bismuth, law.invention, Inorganic Chemistry, symbols.namesake, law, Materials Chemistry, Physical and Theoretical Chemistry, Hydrogen bond, General Medicine, Condensed Matter Physics, 021001 nanoscience & nanotechnology, Synchrotron, Electronic, Optical and Magnetic Materials, 0104 chemical sciences, Thermogravimetry, Crystallography, chemistry, X-ray crystallography, Ceramics and Composites, symbols, Raman spectroscopy, 0210 nano-technology
Abstract

The bismuth basic nitrate [Bi 6 O 4 (OH) 4 ](NO 3 ) 6 crystallizes in a rhombohedral hexagonal unit cell with parameters a = 15.1332 ( 6 ) A , c = 15.7909 ( 9 ) A , V = 3131.8 ( 3 ) A 3 , Z = 6 , space group R -3. The synthesis, formula determination, thermogravimetric analysis and nitrate assay, and finally, its crystal structure refinement determined at 150(2) K by synchrotron X-ray microcrystal diffraction are reported. Its structure is built from [Bi 6 O 4 (OH) 4 ] 6+ polycations, six per unit cell, disordered over two positions. Two oxygen atoms are common to the two antagonist polycations (full occupancy) while the remaining six are partially occupied. The [Bi 6 O 4 (OH) 4 ] 6+ hexanuclear clusters form columns along the c -axis. The cohesion between polycationic entities is effected by nitrate anions through either OH–ONO 2 hydrogen bonds or Bi–ONO 2 bonds. One of the two independent [NO 3 ] − groups is also disordered over two positions. Only a local order in the columns is obtained by formation of pairs of ordered [Bi 6 O 4 (OH) 4 ] 6+ polycations.

Published
2006
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7. Cryosolvents useful for protein and enzyme studies below −100°C

Author

Jeremy C. Smith, Valérie Réat, John L. Finney, Rachel V. Dunn, Roy M. Daniel, Mark A. Roberts, Michelle E. Peterson, Andrew Steer, Department of Physics and Astronomy [UCL London], University College of London [London] (UCL), Institut Laue-Langevin (ILL), ILL, CCLRC Daresbury Laboratory, and University of Waikato [Hamilton]

Subjects
chemistry.chemical_classification, 0303 health sciences, [PHYS.PHYS.PHYS-BIO-PH]Physics [physics]/Physics [physics]/Biological Physics [physics.bio-ph], 030303 biophysics, Biophysics, Biochemistry, Endothermic process, law.invention, 03 medical and health sciences, chemistry.chemical_compound, Enzyme, chemistry, law, X-ray crystallography, Acetone, Glycerol, Dimethylformamide, Organic chemistry, Methanol, Crystallization, ComputingMilieux_MISCELLANEOUS, 030304 developmental biology, Nuclear chemistry
Abstract

For the study of protein structure, dynamics, and function, at very low temperatures it is desirable to use cryosolvents that resist phase separation and crystallisation. We have examined these properties in a variety of cryosolvents. Using visual and X-ray diffraction criteria, methanol:ethanediol (70%:10%), methanol:glycerol (70%:10%), acetone:methoxy-ethanol:ethanediol (35%:35%:10%), dimethylformamide:ethanediol (70%:10%), dimethylformamide (80%), methoxyethanol (80%), and methoxyethanol:ethanediol (70%:10%) were all found to be free of phase-changes down to at least -160 degrees C. The least viscous of these, methanol:ethanediol (70%:10%), was miscible down to -125 degrees C and showed no exo or endothermic transitions when examined using DSC. It is therefore potentially particularly suitable for very low temperature cryoenzymology.

Published
2000
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8. Determination of the limiting low pressure rate constants of the reactions of CH with N2 and CO: a CRESU measurement at 53 K

Author

Bertrand R. Rowe, Ian W. M. Smith, André Canosa, R.A. Brownsword, Se´bastien D. Le Picard, Physique des atomes, lasers, molécules et surfaces (PALMS), Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS), Council for the Central Laboratory of the Research Councils (CCLRC), STFC Rutherford Appleton Laboratory (RAL), Science and Technology Facilities Council (STFC)-Science and Technology Facilities Council (STFC), University of Birmingham [Birmingham], Université de Rennes 1 (UR1), and Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Centre National de la Recherche Scientifique (CNRS)

Subjects
[PHYS]Physics [physics], Range (particle radiation), [PHYS.ASTR.IM]Physics [physics]/Astrophysics [astro-ph]/Instrumentation and Methods for Astrophysic [astro-ph.IM], Chemistry, Radical, Photodissociation, Analytical chemistry, Atmospheric temperature range, 010402 general chemistry, Kinetic energy, 7. Clean energy, 01 natural sciences, Fluorescence, 0104 chemical sciences, Reaction rate constant, Yield (chemistry), 0103 physical sciences, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Physical and Theoretical Chemistry, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], 010303 astronomy & astrophysics, ComputingMilieux_MISCELLANEOUS
Abstract

The pulsed laser photolysis, time-resolved laser-induced fluorescence technique has been implemented in a CRESU (Cine′tiquedeRe′actionenEcoulementSupersoniqueUniforme) apparatus to measure the rates of the association reactions of CH radicals with N2 and CO at 53 K and five different densities of the carrier gas Ar. The pressure-dependent rate constants have been combined with those reported previously for the temperature range 202⩽T/K⩽584 (R. A. Brownsword, L. B. Herbert, I. W. M. Smith and D. W. A. Stewart, J. Chem. Soc., FaradayTrans., 1996, 92, 1087) to yield, via a global fitting procedure, the following expressions for the two rate constants in the limit of low pressure: These expressions are very similar to those deduced previously by Brownsword etal., demonstrating that the analysis of rate constants for association reactions by the methods proposed by Troe (J. Chem. Phys., 1977, 66, 4758) can be applied over a wide range of temperature. These low temperature kinetic data, especially those for CH+N2, have some relevance to the chemistry of the atmospheres of some planets and planetary moons.

Published
1998
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9. Development of structural order during supercooling of a fragile oxide melt

Author

David L. Price, Nathalie Boudet, G. N. Greaves, A. Bytchkov, I. Pozdnyakova, Martin Wilding, Christopher M. Martin, S. Fearn, Dominique Thiaudière, Louis Hennet, Marie-Louise Saboungi, Jean-François Berar, Centre de recherches sur les matériaux à haute température (CRMHT), Centre National de la Recherche Scientifique (CNRS), Institute of Mathematical, Physics and Computer Sciences (IMAPCS), Aberystwyth University, Synchrotron Radiation Source (SRS), CCLRC Daresbury Laboratory, Synchrotron SOLEIL (SSOLEIL), CRG et Grands Instruments (CRG), Institut Néel (NEEL), Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS), Centre de Recherche sur la Matière Divisée (CRMD), Centre National de la Recherche Scientifique (CNRS)-Université d'Orléans (UO), and Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Centre National de la Recherche Scientifique (CNRS)-Université Joseph Fourier - Grenoble 1 (UJF)

Subjects
Diffraction, Materials science, Oxide, General Physics and Astronomy, Thermodynamics, 02 engineering and technology, Condensed Matter::Disordered Systems and Neural Networks, 01 natural sciences, Degree (temperature), chemistry.chemical_compound, medium range order, 0103 physical sciences, Physical and Theoretical Chemistry, 010306 general physics, Supercooling, Cooling curve, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Condensed Matter::Soft Condensed Matter, Bond length, Order (biology), chemistry, fragile liquids, calcium aluminate, short range order, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], 0210 nano-technology, Glass transition
Abstract

4 pages; International audience; The authors have studied the structural evolution of the fragile glass-forming liquid CaAl2O4 during supercooling from the stable liquid phase to the cold glass below Tg. The evolution is characterized by a sharpening of the first diffraction peak and a shortening of the average nearest-neighbor bond length around 1.25Tg, indicating an increase in the degree of both intermediate-range and short-range orders occurring close to the dynamical crossover temperature. The cooling curve developed a kink at this temperature, indicating a simultaneous change in thermodynamic properties.

Published
2007
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