Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/17933
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dc.contributor.authorKus, Nihal-
dc.contributor.authorBreda, Susana-
dc.contributor.authorReva, Igor-
dc.contributor.authorTasal, Erol-
dc.contributor.authorOgretir, Cemil-
dc.contributor.authorFausto, Rui-
dc.date.accessioned2011-12-15T13:03:40Z-
dc.date.available2011-12-15T13:03:40Z-
dc.date.issued2007-09-
dc.identifier.issn00318655.-
dc.identifier.urihttp://hdl.handle.net/10316/17933-
dc.description.abstractThe infrared spectrum of monomeric unsubstituted coumarin (C<sub>9</sub>H<sub>6</sub>O<sub>2</sub>; 2 H-1-benzopyran-2-one), isolated in solid argon at 10 K is presented and assigned. The UV-induced ( λ > 200 nm) unimolecular photochemistry of the matrix-isolated compound was studied experimentally. Three main photoreactions were observed: (a) decarboxylation of the compound and formation of benzocyclobutadiene and CO<sub>2</sub>, with the Dewar form of coumarin as intermediate; (b) isomerization of the compound, leading to production of a conjugated ketene; and (c) decarbonylation, leading to formation of CO and benzofuran complex. Further decomposition of benzofuran to produce ethynol is suggested. Photochannels (a) and (b) correspond to those previously observed for matrix-isolated α-pyrone and its sulfur analogs ( Phys. Chem. Chem. Phys. 2004, 6, 929; J. Phys. Chem. A 2006, 110, 6415), while route (c) is similar to the UV-induced photochemistry of coumarin in the gaseous phase ( J. Phys. Chem. A 2000, 104, 1095). Interpretation of the experimental data is supported by extensive calculations performed at the B3LYP/6-311++G(d,p), MP2/6-31G(d,p) and MP2/6-311++G(d,p) levels. [ABSTRACT FROM AUTHOR].por
dc.language.isoengpor
dc.publisherAmerican Society for Photobiologypor
dc.rightsopenAccesspor
dc.titleFTIR Spectroscopic and Theoretical Study of the Photochemistry of Matrix-Isolated Coumarin.por
dc.typearticlepor
degois.publication.firstPage1237por
degois.publication.lastPage1253por
degois.publication.titlePhotochemistry & Photobiologypor
dc.peerreviewedYespor
dc.identifier.doi10.1111/j.1751-1097.2007.00152.x.-
degois.publication.volume83por
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.orcid0000-0003-4162-7152-
crisitem.author.orcid0000-0001-5983-7743-
crisitem.author.orcid0000-0002-8264-6854-
Appears in Collections:I&D CQC - Artigos em Revistas Internacionais
FCTUC Química - Artigos em Revistas Internacionais
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