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Magnetic rotational strengths of higher states in benzene: evidence for the existence of an out-of-plane transition

✍ Scribed by Joan Samour Rosenfield

Publisher: Elsevier Science
Year: 1976
Tongue: English
Weight: 490 KB
Volume: 39
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(76)80103-0

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✦ Synopsis

Calculations of magneto-optical iZ values in ~u~~briurn benzene, were carried out in the CNDO/S CI approximation. The calculations demonstrate that the apparent B term feature just on the Low ener,T edge of the Et, absorption in the MCD spectrum of benzene vapor may arise from an electric dipole allowed, out-of-plane polarized transition to an As,, state. AIthough the Arg -)r Asu transition has a very low oscillator stren@h, it can have a non-trivial magnetic rotalionti strength via magnetic couphng with the close Iying El, state. Signs and magnitudes of the rotational strength are sensitive to detzik of the calculation. The B value of the E&u state is also discussed.

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