Spin-Orbital Interaction in Molecular Complexes of Naphthalene with Anthracene Derivatives

Author: Pomogaev V.A.   Artyukhov V.Y.  

Publisher: Springer Publishing Company

ISSN: 0021-9037

Source: Journal of Applied Spectroscopy, Vol.68, Iss.2, 2001-03, pp. : 251-258

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Abstract

A new computational procedure for the rate constant of intercombination conversion is developed within the framework of standard quantum chemical calculations. The differences and limits of applicability of concentric, &pgr;, and multicenter approximations are analyzed. The possibility of energy transfer in complexes of anthracene derivatives and naphthalene is considered.