Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/91155
DC FieldValueLanguage
dc.contributor.authorJesus, A. J. Lopes-
dc.contributor.authorReva, Igor-
dc.contributor.authorNunes, Cláudio M.-
dc.contributor.authorRoque, José P. L.-
dc.contributor.authorPinto, Sandra M. V.-
dc.contributor.authorLourenço, Rui Fausto-
dc.date.accessioned2020-10-10T12:23:36Z-
dc.date.available2020-10-10T12:23:36Z-
dc.date.issued2020-05-16-
dc.identifier.issn00092614pt
dc.identifier.urihttp://hdl.handle.net/10316/91155-
dc.description.abstractMonomers of 2-isocyanophenol were generated in low-temperature solid Ar and N2 matrices by UV-irradiation of benzoxazole and characterized by infrared (IR) spectroscopy. Near–IR narrowband excitation of the first OH-stretching overtone of 2–isocyanophenol isolated in an N2 matrix converted the most stable cis into the higher-energy trans conformer. Interconversions between these conformers also occurred when the sample was vibrationally excited by the full, or filtered, broadband light of the IR spectrometer source, notably, with different isomerization rate constants. A spontaneous trans → cis decay, via H–tunneling, was observed for N2 matrix kept in dark. In an Ar matrix, only the cis conformer was observed.pt
dc.language.isoengpt
dc.publisherElsevierpt
dc.relationinfo:eu-repo/grantAgreement/POCI-01-0145-FEDER-028973/PTpt
dc.relationinfo:eu-repo/grantAgreement/FCT/UID/QUI/0313/2019pt
dc.rightsembargoedAccesspt
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/pt
dc.subjectMatrix-isolation IR-spectroscopypt
dc.subjectConformational changespt
dc.subjectInfrared-induced chemistrypt
dc.subjectIsomerization rate constantpt
dc.subjectHydrogen atom tunnelingpt
dc.titleKinetically unstable 2–isocyanophenol isolated in cryogenic matrices: Vibrational excitation, conformational changes and spontaneous tunnelingpt
dc.typearticle-
degois.publication.titleChemical Physics Letterspt
dc.relation.publisherversionhttps://www.sciencedirect.com/science/article/abs/pii/S0009261419310504pt
dc.peerreviewedyespt
dc.identifier.doi10.1016/j.cplett.2019.137069pt
degois.publication.volume747pt
dc.date.embargo2021-05-16*
uc.date.periodoEmbargo365pt
item.languageiso639-1en-
item.fulltextCom Texto completo-
item.grantfulltextopen-
crisitem.author.deptFaculty of Pharmacy-
crisitem.author.deptFaculty of Sciences and Technology-
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.parentdeptUniversity of Coimbra-
crisitem.author.researchunitCQC - Coimbra Chemistry Centre-
crisitem.author.researchunitCQC - Coimbra Chemistry Centre-
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.parentresearchunitFaculty of Sciences and Technology-
crisitem.author.parentresearchunitFaculty of Sciences and Technology-
crisitem.author.orcid0000-0002-5953-976X-
crisitem.author.orcid0000-0001-5983-7743-
crisitem.author.orcid0000-0002-8511-1230-
crisitem.author.orcid0000-0002-8264-6854-
Appears in Collections:I&D CQC - Artigos em Revistas Internacionais
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