Nonplanar structure of C6H5SCF3 facilitates pi sigma*-mediated photodissociation reaction on the S-1 state

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dc.contributor.authorKim, So-Yeonko
dc.contributor.authorLee, Jeongmookko
dc.contributor.authorKim, Sang-Kyuko
dc.contributor.authorChoi, Young S.ko
dc.date.accessioned2016-11-09T02:46:12Z-
dc.date.available2016-11-09T02:46:12Z-
dc.date.created2016-10-10-
dc.date.created2016-10-10-
dc.date.issued2016-08-
dc.identifier.citationCHEMICAL PHYSICS LETTERS, v.659, pp.43 - 47-
dc.identifier.issn0009-2614-
dc.identifier.urihttp://hdl.handle.net/10203/213557-
dc.description.abstractVibrational structure of trifluoromethylthiobenzene (C6H5SCF3) on the S-1 state has been investigated by resonance-enhanced two-photon ionization spectroscopy and nature of predissociation dynamics is inferred from homogeneously broadened spectral features. As C6H5SCF3 adopts a nonplanar structure in both the S-0 and S-1 states, the effective adiabatic barrier generated by avoided crossing of optically bright bound S-1 (pi pi*) and dark-repulsive Sy (pi sigma*) surfaces along the reaction coordinate is significantly lowered, giving the S-1 lifetime of similar to 300 fs. This experiment demonstrates that the molecular structure spanned by the reactive flux near the curve-crossing region dictates reaction rate as well as nonadiabatic transition probability. (C) 2016 Elsevier B.V. All rights reserved-
dc.languageEnglish-
dc.publisherELSEVIER SCIENCE BV-
dc.subjectINTRAMOLECULAR ORBITAL ALIGNMENT-
dc.subjectTHIOPHENOL-
dc.subjectDYNAMICS-
dc.subjectSUBSTITUTION-
dc.subjectCONFORMATION-
dc.subjectCONFORMERS-
dc.titleNonplanar structure of C6H5SCF3 facilitates pi sigma*-mediated photodissociation reaction on the S-1 state-
dc.typeArticle-
dc.identifier.wosid000383009700009-
dc.identifier.scopusid2-s2.0-84978086443-
dc.type.rimsART-
dc.citation.volume659-
dc.citation.beginningpage43-
dc.citation.endingpage47-
dc.citation.publicationnameCHEMICAL PHYSICS LETTERS-
dc.identifier.doi10.1016/j.cplett.2016.06.083-
dc.contributor.localauthorKim, Sang-Kyu-
dc.contributor.nonIdAuthorChoi, Young S.-
dc.type.journalArticleArticle-
dc.subject.keywordAuthorNonadiabatic transition-
dc.subject.keywordAuthorConical intersection-
dc.subject.keywordAuthorPredissociation-
dc.subject.keywordPlusINTRAMOLECULAR ORBITAL ALIGNMENT-
dc.subject.keywordPlusTHIOPHENOL-
dc.subject.keywordPlusDYNAMICS-
dc.subject.keywordPlusSUBSTITUTION-
dc.subject.keywordPlusCONFORMATION-
dc.subject.keywordPlusCONFORMERS-
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