Abstract
The Raman spectra of copper phthalocyanin CuPc are analyzed. The frequencies and forms of the normal in-plane vibrations which are active in the Raman spectrum are calculated. The assignment according to symmetry types is based on the polarization measurements for a β-CuPc single crystal. For phthalocyanin with all 14N atoms substituted by 15N, agreement between the calculated and experimental isotope shifts of vibration frequencies was estimated, and this estimate served as a key criterion of reliability of the calculation.
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Basova, T.V., Kolesov, B.A. Raman Spectra of Copper Phthalocyanin: Experiment and Calculation. Journal of Structural Chemistry 41, 770–777 (2000). https://doi.org/10.1023/A:1004802000669
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DOI: https://doi.org/10.1023/A:1004802000669