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Jahn-Teller coupling and the photoelectron spectrum of cyclopropane

✍ Scribed by C.G. Rowland

Publisher
Elsevier Science
Year
1971
Tongue
English
Weight
508 KB
Volume
9
Category
Article
ISSN
0009-2614

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✦ Synopsis

Reparameterized

CNDO calculations on the ground and ffrst excited states of the cycfopropaue caD"on sboow that both states are subject to significant J&n-Teller distortions. First and second order vibroaic coupling parameters derived from the calcuIations are used to predict the shape of spectra which would be observed for electronic transitions to these degenerate states. Good agreement with the observed pbotaehctron spectrum is found. The inclusion of second order terms increases the complexity of the spectra but does not greatly alter the shape of the band cootours.

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