Structure and Physical Properties of Dibenzothiophenes

Several molecular orbital treatments of dibenzothiophene have appeared, the object in general being twofold. First, to derive a model which will account for the positional electrophilic reactivity observed for dibenzothiophene, and second, as a result of such a model, to formulate an accurate quantum mechanical model for the sulfur atom and empirical 

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The Pariser-Parr-Pople semiempirical method has been applied to dibenzothiophene to predict bond orders, relative electro- 

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