Raman spectra of copper phthalocyanin: Experiment and calculation

The Raman spectra of copper phthalocyannin CuPc are analyzed. The frequenci es and forms of the normal in-plane vibrations which are active in the Rama n spectrum are calculated. The assignment according to symmetry types is ba sed on the polarization measurements for a beta -CuPc single crystal. For p hthalocyanin with all N-14 atoms substituted by N-15, agreement between the calculated and experimental isotope shifts of vibration frequencies was es timated, and this estimate served as a key criterion of reliability of the calculation.