Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/10557
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dc.contributor.authorMaçôas, Ermelinda M. S.-
dc.contributor.authorFausto, Rui-
dc.contributor.authorPettersson, Mika-
dc.contributor.authorKhriachtchev, Leonid-
dc.contributor.authorRäsänen, Markku-
dc.date.accessioned2009-07-08T09:18:23Z-
dc.date.available2009-07-08T09:18:23Z-
dc.date.issued2000-08-03-
dc.identifier.citationThe Journal of Physical Chemistry A. 104:30 (2000) 6956-6961en_US
dc.identifier.issn1089-5639-
dc.identifier.urihttp://hdl.handle.net/10316/10557-
dc.description.abstractInfrared-induced conformational isomerization of oxalic acid monomer isolated in an argon matrix at 7.5 K was studied by infrared spectroscopy. For the first time, three conformational states of this molecule were identified experimentally and their vibrational spectra are assigned. In good agreement with density functional theory predictions, all the observed conformers exhibit a trans OC−CO axis, differing in the relative conformation of their O−C−O−H axes. In the most stable conformer (belonging to the C2h symmetry point group), two intramolecular OH···O hydrogen bonds are present. The second (Cs) most stable conformer shows a single OH···O bond, and the third one (C2h) does not exhibit any intramolecular hydrogen bond. Using narrowband tunable irradiation in the near-infrared region it was possible to promote very efficiently conformer interconversions, which was followed spectroscopically.en_US
dc.language.isoengen_US
dc.publisherAmerican Chemical Societyen_US
dc.rightsopenAccesseng
dc.titleInfrared-Induced Rotamerization of Oxalic Acid Monomer in Argon Matrixen_US
dc.typearticleen_US
dc.identifier.doi10.1021/jp000634s-
uc.controloAutoridadeSim-
item.grantfulltextopen-
item.languageiso639-1en-
item.fulltextCom Texto completo-
crisitem.author.deptFaculty of Sciences and Technology-
crisitem.author.parentdeptUniversity of Coimbra-
crisitem.author.researchunitCQC - Coimbra Chemistry Centre-
crisitem.author.parentresearchunitFaculty of Sciences and Technology-
crisitem.author.orcid0000-0002-8264-6854-
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais
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