Abstract
The semiempirical SCF-MO-CI calculation was applied to the electron donor-acceptor (EDA) interaction in 9,10-dicyanoanthracene and naphthalene system which exhibits the exciplex fluorescence and also the fluorescence due to the EDA complex stable in the ground state. On the basis of energy contour maps of the ground and excited states and of electronic transitions in the EDA system, the relaxation process from the F.G. excited state of the EDA complex to an identical fluorescent state with the exciplex was discussed on the intermolecular interaction, and also on the intramolecular interaction in (9,10-dicyanoanthracene)-(CH2)3- (naphthalene) systems.
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