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dc.contributor.authorDryza, V
dc.contributor.authorChalyavi, N
dc.contributor.authorSanelli, JA
dc.contributor.authorBieske, EJ
dc.date.available2014-05-22T07:08:07Z
dc.date.issued2012-11-28
dc.identifierhttp://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000312252100029&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=d4d813f4571fa7d6246bdc0dfeca3a1c
dc.identifierARTN 204304
dc.identifier.citationDryza, V., Chalyavi, N., Sanelli, J. A. & Bieske, E. J. (2012). Electronic absorptions of the benzylium cation. JOURNAL OF CHEMICAL PHYSICS, 137 (20), https://doi.org/10.1063/1.4767402.
dc.identifier.issn0021-9606
dc.identifier.urihttp://hdl.handle.net/11343/32810
dc.descriptionC1 - Journal Articles Refereed
dc.description.abstractThe electronic transitions of the benzylium cation (Bz(+)) are investigated over the 250-550 nm range by monitoring the photodissociation of mass-selected C(7)H(7)(+)-Ar(n) (n = 1, 2) complexes in a tandem mass spectrometer. The Bz(+)-Ar spectrum displays two distinct band systems, the S(1)←S(0) band system extending from 370 to 530 nm with an origin at 19,067 ± 15 cm(-1), and a much stronger S(3)←S(0) band system extending from 270 to 320 nm with an origin at 32,035 ± 15 cm(-1). Whereas the S(1)←S(0) absorption exhibits well resolved vibrational progressions, the S(3)←S(0) absorption is broad and relatively structureless. Vibronic structure of the S(1)←S(0) system, which is interpreted with the aid of time-dependent density functional theory and Franck-Condon simulations, reflects the activity of four totally symmetric ring deformation modes (ν(5), ν(6), ν(9), ν(13)). We find no evidence for the ultraviolet absorption of the tropylium cation, which according to the neon matrix spectrum should occur over the 260 - 275 nm range [A. Nagy, J. Fulara, I. Garkusha, and J. Maier, Angew. Chem., Int. Ed. 50, 3022 (2011)].
dc.languageEnglish
dc.publisherAMER INST PHYSICS
dc.subjectPhysical Chemistry not elsewhere classified; Expanding Knowledge in the Chemical Sciences
dc.titleElectronic absorptions of the benzylium cation
dc.typeJournal Article
dc.identifier.doi10.1063/1.4767402
melbourne.peerreviewPeer Reviewed
melbourne.affiliationThe University of Melbourne
melbourne.affiliation.departmentChemistry
melbourne.source.titleJOURNAL OF CHEMICAL PHYSICS
melbourne.source.volume137
melbourne.source.issue20
melbourne.publicationid187657
melbourne.elementsid365525
melbourne.contributor.authorDryza, Viktoras
melbourne.contributor.authorBieske, Evan
melbourne.contributor.authorCHALYAVI, NAHID
melbourne.contributor.authorSanelli, Julian
dc.identifier.eissn1089-7690
melbourne.accessrightsThis item is currently not available from this repository


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