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Vibronic activity in MCD spectra: Calculation of the induced B terms in the “orbital following” framework

✍ Scribed by Giancarlo Marconi

Publisher: Elsevier Science
Year: 1988
Tongue: English
Weight: 492 KB
Volume: 146
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(88)87441-4

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✦ Synopsis

The vibronic activity revealed by the MCD spectra of benzene and formaldehyde has been investigated using the "orbital following" method for the vibronic integrals. The results agree reasonably well with experiment and with previous theoretical analyses. The most important terms contributing to the vibronic B terms are identified and discussed.

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