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Vibronic coupling in the benzyl radical

✍ Scribed by Giorgio Orlandi; Gabriella Poggi; Francesco Zerbetto

Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 492 KB
Volume: 115
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(85)80024-5

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✦ Synopsis

The vlbromc pcrturbatlons among the lowest cxnted states of bcnzyl, computed by a CNDO/S program in the floaung-orbltal scheme, are presented. The psb (v,sb) modes are the tqbrations that most strongly (weakly) couple (he quandcgcncratc lAz and 2& states. The rcsulls arc rclcvant to the inlcrprelation of bcnzyl emission and absorption spcc~ra_ * Part of the "Dottorato dr riccrca" thesis of F. Zprbc~to. Issued as NRCC No. 24109. ' NRCC Viiting !~CXULM. Permanent address-Istituto Cbimico "G. Clamic~a~?', Umvcr~ty of Bologna, 40126 F3ologna. Ilaly. 9 They axu is perpendicular to the molecular plane and z 1s the long m-plane axis. Votie 115, number 3 CHEMlcAL PHYSICS LEXTEXS

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