Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/18070
DC FieldValueLanguage
dc.contributor.authorLapinski, Leszek-
dc.contributor.authorRostkowska, Hanna-
dc.contributor.authorReva, Igor-
dc.contributor.authorFausto, Rui-
dc.contributor.authorNowak, Maciej J.-
dc.date.accessioned2012-01-02T11:12:01Z-
dc.date.available2012-01-02T11:12:01Z-
dc.date.issued2010-04-
dc.identifier.urihttp://hdl.handle.net/10316/18070-
dc.description.abstractNon-hydrogen-bonded isomers were photogenerated by UV (λ > 335 nm) irradiation of o-hydroxybenzaldehyde (salicylaldehyde) and o-hydroxyacetophenone monomers isolated in low-temperature Ar matrixes. These photoisomerizations were found to be photoreversible. Upon shorter wavelength (λ > 235 nm or λ > 270 nm) UV irradiation, the initial forms of the compounds (with intramolecular hydrogen bonds) were partially repopulated. The structures of the photogenerated non-hydrogen-bonded isomers of both compounds were positively identified by comparison of their IR spectra with the spectra theoretically calculated [at the DFT(B3LYP)/6-311++G(2d,p) level] for all possible non-hydrogen-bonded isomers of the studied compounds. The experimental IR spectra of the photoproducts generated from o-hydroxybenzaldehyde and o-hydroxyacetophenone are very well reproduced only by the theoretical spectra predicted for the isomers with both OH and formyl (or acetyl) groups rotated by 180°, with respect to the initial, most stable hydrogen-bonded conformer. Excellent agreement between experiment and theoretical prediction provides a basis for a very reliable identification of the photoproduced isomers of o-hydroxybenzaldehyde and o-hydroxyacetophenone.por
dc.language.isoengpor
dc.publisherAmerican Chemical Societypor
dc.rightsopenAccesspor
dc.titlePositive Identification of UV-Generated, Non-Hydrogen-Bonded Isomers of o-Hydroxybenzaldehyde and o-Hydroxyacetophenonepor
dc.typearticlepor
degois.publication.firstPage5588por
degois.publication.lastPage5595por
degois.publication.titleJ. Phys. Chem. Apor
dc.peerreviewedYespor
dc.identifier.doi10.1021/jp1003775-
degois.publication.volume114por
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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