The Electronic Absorption Spectra and Electronic Structures of Aromatic Azides, Nitrenes, and Diazonium Ions

H Kashiwagi, S Iwata, T Yamaoka…

Index: Kashiwagi,H. et al. Bulletin of the Chemical Society of Japan, 1973 , vol. 46, p. 417 - 422

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Citation Number: 14

Abstract

Electronic spectra were measured for azidobenzene, 1-azidopyrene, benzenediazonium ion, and 1-pyrenediazonium ion at room temperature, and also for nitrenobenzene and 1- nitrenopyrene at liquid nitrogen temperature. The π-electron structures of these compounds were calculated by the Pariser-Parr-Pople LCAO SCF MO CI method for the closed-shell systems and by the restricted open-shell SCF MO CI method for the open-shell systems. ...