A New Model on Study of the Electronic Structure and Spectra of Metal Phthalocyanine

A new model is presented to deal with the electronic structure and spectra of metal phthalocyanine by treating the macrocycle π-electron with the free electron ring model and the correlation of π-electrons and the interaction of the external benzene rings （with macrocycle） as perturbation. These benzene rings are approximated as dipoles, the Q-band obtained is red shifted from that of porphyrin; the B-band is blue shifted and the transition moment of Q-band is different from zero. These results are in rather good agreement with the experimental data. Finally we have discussed qualitatively the electronic structure of naphthalocyanine.