π-Electron Structure and Spectra of Diazaphenanthrenes

Chemistry Department, Visva-Bharati University, Santiniketan-781 285

Manuscript  received 17 November 1984, accepted 22 August 1987

The resonance energies of diazaphenanthrenes with two nitrogen atoms in the adjacent rings have been predicted by means of empirical relations and compared with the Dewar resonance energy. The two sets of results are in good agreement with each other. The ground state properties and other properties such as ionisation potential, electron affinity, half-wave reduction potential and π-dipole moment have been predicted. The effect of nitrogen atom at different centres on the ground state properties has also been discussed. The  π←π spectral transitions have also been pre­-dicted and compared with the experimental ones where available.