Title

An NMR and computational study of diazepinediones

Abstract

The structure and ring-inversion barriers of several imidazodiazepinediones and benzodiazepinediones are studied. The barrier for one of each type is experimentally determined by NMR and calculations are carried out with the AM1 semi-empirical method. For comparison, calculations are also carried out on several imidazodiazepines and benzodiazepines. © 1989.

Publication Title

Journal of Molecular Structure: THEOCHEM

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