VIBRONIC THEORY OF MAGNETIC VIBRATIONAL CIRCULAR-DICHROISM IN SYSTEMSWITH FOURFOLD SYMMETRY - THEORETICAL-ANALYSIS FOR COPPER TETRAPHENYLPORPHYRIN

A vibronic theory which includes multimode and multistate effects is d eveloped to study magnetic vibrational circular dichroism (MVCD) and a bsorption spectra for molecular systems with fourfold symmetry. The MV CD and absorption spectra of the e fundamental transition and its comb inations with infrared inactive modes are discussed in some detail to demonstrate the importance of electric and magnetic anharmonicity aris ing from vibronic coupling. The theory is applied to experimental MVCD spectra for the CuTPP molecule.