Abstract
Phthalocyanines provide the most important classical organic pigments in the blue and green shade area and some derivatives are of interest as near infrared absorbers. The results of PPP molecular orbital calculations after refinement by parameter optimisation were found to provide good agreement with experimental λ max values for a range of metal-free phthalocyanines and their complexes. The nature of the electronic excitation processes are discussed in terms of the calculated changes in π-electron charge density.
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