Abstract
A benzimidazole derivative of perylenetetracarboxylic-3,4,9,10 anhydride has been considered as the base system. Then, by means of annellation (phenylene fusion) a series of nonexistent structures have been constructed. The positional effect of annellation on these systems has been analyzed theoretically by performing PM3/RHF type quantum chemical calculations. The geometries and stabilities are discussed. The theoretical electronic spectra have been produced by using ZINDO/S (CI) type calculations and discussed.
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