Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/10354
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dc.contributor.authorReva, Igor D.-
dc.contributor.authorJarmelo, Susana-
dc.contributor.authorLapinski, Leszek-
dc.contributor.authorFausto, Rui-
dc.date.accessioned2009-06-25T10:43:56Z-
dc.date.available2009-06-25T10:43:56Z-
dc.date.issued2004-08-26-
dc.identifier.citationThe Journal of Physical Chemistry A. 108:34 (2004) 6982-6989en_US
dc.identifier.issn1089-5639-
dc.identifier.urihttp://hdl.handle.net/10316/10354-
dc.description.abstractGlycolic acid (HO−CH2−COOH) monomers isolated in low-temperature argon and krypton matrices were studied using FTIR spectroscopy. The most stable SSC conformer of the compound dominated in the matrices immediately after their deposition. Upon broadband infrared irradiation, two minor conformers (GAC and AAT) were photogenerated. No other forms of glycolic acid were populated, either thermally or photochemically. Systematic monitoring of the progress of the IR-induced phototransformations (over a time scale of 20−140 min) allowed one to distinguish between the primary (GAC) and secondary (AAT) photoproducts. The assignment of experimental spectra to the different conformers was based on the results of IR irradiation of the samples and was assisted by the theoretical calculations carried out at the MP2/aug-cc-pVDZ level. Theoretical pathways for intramolecular rotation in the glycolic acid monomer were investigated at the MP2/6-31++G(d,p) level. Lack of conformers other than SSC, GAC, and AAT in the IR-irradiated matrices was explained in terms of energy barriers separating different forms of the compound.en_US
dc.language.isoengen_US
dc.publisherAmerican Chemical Societyen_US
dc.rightsopenAccesseng
dc.titleIR-Induced Photoisomerization of Glycolic Acid Isolated in Low-Temperature Inert Matricesen_US
dc.typearticleen_US
dc.identifier.doi10.1021/jp0483627-
item.fulltextCom Texto completo-
item.grantfulltextopen-
item.languageiso639-1en-
crisitem.author.deptFaculdade de Ciências e Tecnologia, Universidade de Coimbra-
crisitem.author.parentdeptUniversidade de Coimbra-
crisitem.author.researchunitCoimbra Chemistry Center-
crisitem.author.orcid0000-0002-8264-6854-
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais
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