Afficher la notice abrégée

A combined spectroscopic and theoretical study of dibutyltin diacetate and dilaurate in supercritical CO2

dc.rights.licenseopen
hal.structure.identifierLaboratoire de Chimie des polymères organiques [LCPO]
dc.contributor.authorRENAULT, Benjamin
hal.structure.identifierLaboratoire de Chimie des polymères organiques [LCPO]
hal.structure.identifierTeam 4 LCPO : Polymer Materials for Electronic, Energy, Information and Communication Technologies
dc.contributor.authorCLOUTET, Eric
IDREF: 151048681
hal.structure.identifierLaboratoire de Chimie des polymères organiques [LCPO]
hal.structure.identifierTeam 2 LCPO : Biopolymers & Bio-sourced Polymers
dc.contributor.authorCRAMAIL, Henri
hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
dc.contributor.authorHANNACHI, Yacine
hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
dc.contributor.authorTASSAING, Thierry
dc.date.accessioned2020
dc.date.available2020
dc.date.issued2008
dc.identifier.issn1089-5639
dc.identifier.urihttps://oskar-bordeaux.fr/handle/20.500.12278/20742
dc.description.abstractEnTwo organotin catalysts, namely, dibutyltin dilaurate (DBTDL) and dibutyltin diacetate (DBTDA), commonly used in the synthesis of polyurethanes, have been investigated combining vibrational spectroscopic measurements with molecular modeling. The structure and vibrational spectra of the DBTDA molecule have been simulated using density functional theory. Thus, because of the Sn center dot center dot center dot O interactions, the lowest energy conformer reveals an asymmetrically chelated structure of the acetate groups with a C-2u symmetry. The experimental IR spectra of DBTDA and DBTDL diluted in carbon tetrachloride and in supercritical CO2 show unambiguously that these molecules adopt the asymmetrically chelated conformation in the solvent. A new attribution of the main peaks constituting the respective IR spectra of the catalysts could be carried out. Finally, from the IR spectra of the two catalysts diluted in supercritical CO2 reported as a function of time, it was found that both molecules react slightly with CO2. However, their spectrum remains unchanged at the earliest stage of the polymerization, indicating that these molecules preserve a catalytic activity similar to that noted in conventional organic solvent.
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.subject.enCARBOXYLIC-ACIDS
dc.subject.enURETHANE FORMATION
dc.subject.enEPSILON-CAPROLACTONE
dc.subject.enORGANOTIN COMPOUNDS
dc.subject.enRING-OPENING POLYMERIZATION
dc.subject.enCARBON-DIOXIDE
dc.subject.enAB-INITIO
dc.subject.enVIBRATIONAL FREQUENCIES
dc.subject.enCATALYTIC MECHANISMS
dc.subject.enDENSITY
dc.title.enA combined spectroscopic and theoretical study of dibutyltin diacetate and dilaurate in supercritical CO2
dc.typeArticle de revue
dc.identifier.doi10.1021/jp8004822
dc.subject.halChimie/Polymères
bordeaux.journalJournal of Physical Chemistry A
bordeaux.page8379-8386
bordeaux.volume112
bordeaux.hal.laboratoriesLaboratoire de Chimie des Polymères Organiques (LCPO) - UMR 5629*
bordeaux.issue36
bordeaux.institutionBordeaux INP
bordeaux.institutionUniversité de Bordeaux
bordeaux.peerReviewedoui
hal.identifierhal-00354743
hal.version1
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00354743v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Journal%20of%20Physical%20Chemistry%20A&rft.date=2008&rft.volume=112&rft.issue=36&rft.spage=8379-8386&rft.epage=8379-8386&rft.eissn=1089-5639&rft.issn=1089-5639&rft.au=RENAULT,%20Benjamin&CLOUTET,%20Eric&CRAMAIL,%20Henri&HANNACHI,%20Yacine&TASSAING,%20Thierry&rft.genre=article


Fichier(s) constituant ce document

FichiersTailleFormatVue

Il n'y a pas de fichiers associés à ce document.

Ce document figure dans la(les) collection(s) suivante(s)

Afficher la notice abrégée