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Vibronic effects in the MCD spectrum of buckminsterfullerene

✍ Scribed by Giancarlo Marconi; Pier Remigio Salvi

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 467 KB
Volume: 202
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)85288-y

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✦ Synopsis

The manifestations of vibronic coupling responsible for the magnetic circular dichroism (MCD) A terms in the region of the lowest excited state of Css have been examined through quantum-mechanical semi-empirical calculations. The vibronic sequences present both in the MCD and in the fluorescence spectrum are attributed to interactions of a low-lying T,, state with higher permitted T,. states through t,. and h, modes. The main vibrational modes responsible for the borrowing are examined and a rationale for the sign shown by the MCD bands is provided,

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