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Structural and Dynamical Insights from Vibrational Multipolar Analyses of Isotropic Media: Application to Molecular Liquid CCl4 and Silica Glass SiO2

hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
hal.structure.identifierCentre de physique moléculaire optique et hertzienne [CPMOH]
dc.contributor.authorGUIMBRETIÈRE, Guillaume
hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
dc.contributor.authorBOUCHET, Aude
hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
dc.contributor.authorRODRIGUEZ, Vincent
hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
dc.contributor.authorCOUZI, Michel
hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
dc.contributor.authorTALAGA, David
hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
dc.contributor.authorBUFFETEAU, Thierry
hal.structure.identifierCentre de physique moléculaire optique et hertzienne [CPMOH]
dc.contributor.authorCANIONI, Lionel
dc.date.created2008-07-20
dc.date.issued2008-11-20
dc.identifier.issn1932-7447
dc.description.abstractEnWe propose and describe combined multipolar vibrational decompositions of IR, polarized Raman and hyper-Raman spectra as a powerful method to study and interpret vibrational spectra in isotropic materials. We have applied this new method to the molecular liquid CCl4 and to silica glass, which are both made of elementary tetrahedral units weakly interacting and strongly 3D-linked, respectively. As expected, huge deviations of vibrational multipolar activities from isolated tetrahedron are observed in silica glass. From the vibrational multipolar analyses, we propose a structural model, beyond the local tetrahedral unit, because it encompasses first neighborhoods, which fits the activities of the multipolar vibrational spectra. It is derived from the unit cell of the α-cristoballite structure, with an octupolar S4 symmetry, which consists of a central SiO4 tetrahedron embedded in a super Si4/4 tetrahedron with bent Si?O?Si bonds.
dc.description.sponsorshipResearch and Education in Glass and Laser Interaction Science (REGLIS) - ANR-05-BLAN-0212
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.title.enStructural and Dynamical Insights from Vibrational Multipolar Analyses of Isotropic Media: Application to Molecular Liquid CCl4 and Silica Glass SiO2
dc.typeArticle de revue
dc.identifier.doi10.1021/jp806395k
bordeaux.journalJournal of Physical Chemistry C
bordeaux.page17906-17915
bordeaux.volume112
bordeaux.issue46
bordeaux.peerReviewedoui
hal.identifierhal-00747252
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00747252v1
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