出版社：The Society of Photographic Science and Technolgy of Japan
摘要：Electronic structures of benzoylazide and p-substituted benzoylazides (substituents: F, Cl, Br, and I) were calculated by the PPP method taking the configuration interaction among all the singly excited configurations. The calculation showed that absorption bands in near-ultraviolet region were assigned into three electronic transitions, two of which were the local excitation in the phenyl group (LB) and the other was the local excitation in the azide group (LA). The calculation also predicted that the lowest triplet level should have a very small excitation energy which was little affected by the substitution. It was suggested that, when a molecule had been excited into a singlet LB state, the phosphorescent state was the second triplet state belonging to LB, and the decomposition occurred from the lowest triplet state belonging to LA.
