✦ LIBER ✦

A CASSCF study on potential energy curves of vinoxy radical in excited states

✍ Scribed by Makoto Yamaguchi

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 508 KB
Volume: 221
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)00288-6

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✦ Synopsis

Potential energy curves of the ground and excited states of vinoxy radical (CH,CHO) were calculated along the C-C torsional coordinate. A crossing of potential curves between B and c states was observed and the B state energy at the saddle point was B 2800 cm-' higher than the energy at the planar geometry. Energy differences between A and B states at the saddle point became as small as z 2200 cm-1 and it is suggested that the C-C torsional motion induces the fast non-radiative decay of the fi state.

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