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Abstract
Ramanscattering for a range of metal phthalocyanines using excitation frequencies from 457.9 to 1064 nm havebeen interpreted in the light of the recent DFT calculation on zinc phthalocyanine. The intention was to determinethe features of the spectra that might be used for analysis of specific phthalocyanines. Bbandswere found to be the most intense. The frequency of one band with a large C–N–C ring displacement is particularlysensitive to the metal ion size. The effect is determined not only by the size of the ion but also by the effectit has on ring shape. First and second order overtone bands of zinc and copper phthalocyanines are broadlysimilar, with some coupling differences at about 2000 cm. The region between 1350 and 1550 cm has beenlittle studied previously. It shows a remarkable sensitivity to the metal ion present and provides a specific signaturefor each phthalocyanine studied. In contrast, a study of α-, β-, γ- and ε-copper phthalocyanines using514.5 nm excitation showed very few differences, suggesting that intra- rather than intermolecularmarkers are most efficiently determined by Raman scattering. The study enables the interpretation ofthe Raman spectra of the phthalocyanines in terms of molecular structure and due to the resonant enhancement involvedwill enable theidentificationof specific phthalocyanines in matrices.
Journal
Physical Chemistry Chemical Physics – Royal Society of Chemistry
Published: Jan 1, 2001