Study on Eletronic Structures and Spectra of Metal Phthalocyanine and Tetrabenzporphin Complexes

We have calculated electronic structures of ground states and spectra of lower excited state transitions for phthalocyanine and terabenzporphin complexes MPc and MTBZP（M=Mg and Ni）. On the basis of MO’s components the bondings in these complexes have been explained.The calculated values of lower energy transitions Q and B bands are in good aggreement with the experimental data.