Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/5136
DC FieldValueLanguage
dc.contributor.authorReva, Igor D.-
dc.contributor.authorJarmelo, Susana-
dc.contributor.authorLapinski, Leszek-
dc.contributor.authorFausto, Rui-
dc.date.accessioned2008-09-01T15:04:34Z-
dc.date.available2008-09-01T15:04:34Z-
dc.date.issued2004en_US
dc.identifier.citationChemical Physics Letters. 389:1-3 (2004) 68-74en_US
dc.identifier.urihttp://hdl.handle.net/10316/5136-
dc.description.abstractThe FT-IR spectra of monomeric glycolic acid, GA, isolated in argon and xenon matrices (at 10 and 20 K) were studied, enabling identification of three different conformers of GA. The most stable SSC conformer involves a hydrogen bond between the carbonyl group and the hydrogen atom of the alcohol hydroxyl group. The minor GAC and AAT forms involve intramolecular hydrogen bonds between alcohol and carboxyl OH groups, with alcohol and carboxylic groups serving as proton donors, respectively. The GAC conformer, predicted by theoretical calculations (at the DFT/B3LYP and MP2 levels with the 6-31++G(d,p) and aug-cc-pVDZ basis sets) as the second most stable form, was now experimentally identified for the first time.en_US
dc.description.urihttp://www.sciencedirect.com/science/article/B6TFN-4C2FHSF-7/1/8b868591b7c14f11e4cc9abeb26b9e20en_US
dc.format.mimetypeaplication/PDFen
dc.language.isoengeng
dc.rightsopenAccesseng
dc.titleFirst experimental evidence of the third conformer of glycolic acid: combined matrix isolation, FTIR and theoretical studyen_US
dc.typearticleen_US
dc.identifier.doi10.1016/j.cplett.2004.03.062-
uc.controloAutoridadeSim-
item.fulltextCom Texto completo-
item.grantfulltextopen-
item.languageiso639-1en-
crisitem.author.deptFaculty of Sciences and Technology-
crisitem.author.deptFaculty of Sciences and Technology-
crisitem.author.parentdeptUniversity of Coimbra-
crisitem.author.parentdeptUniversity of Coimbra-
crisitem.author.researchunitCQC - Coimbra Chemistry Centre-
crisitem.author.researchunitCQC - Coimbra Chemistry Centre-
crisitem.author.parentresearchunitFaculty of Sciences and Technology-
crisitem.author.parentresearchunitFaculty of Sciences and Technology-
crisitem.author.orcid0000-0001-5983-7743-
crisitem.author.orcid0000-0001-5771-458X-
crisitem.author.orcid0000-0003-2896-4007-
crisitem.author.orcid0000-0002-8264-6854-
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais
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