VIBRATIONAL-SPECTRA AND STRUCTURE OF PERCHLORINATED METAL-FREE PHTHALOCYANINE AND LUTETIUM BISPHTHALOCYANINE

The infrared and Raman spectra of perchlorinated phthalocyanine (Pc), H2PcCl16, LuPc2Cl32 and the unsymmetrical LuPc2Cl16 are reported. The vibrational data set also include SERRS and the far-infrared spectra b etween 100 and 400 cm-1. The vibrational assignment of characteristic wavenumbers was supported by a semi-empirical calculation using the PM 3 Hamiltonian. The H-2Pc molecule was used as a reference in the PM3 v ibrational calculations. The effect of the chlorine substituents on th e optical spectra of the phthalocyanine ring is examined.