Electronic structure of zinc phthalocyanine
- 1 September 1988
- journal article
- Published by Canadian Science Publishing in Canadian Journal of Chemistry
- Vol. 66 (9) , 2313-2324
- https://doi.org/10.1139/v88-367
Abstract
The electronic structure of zinc phthalocyanine is investigated through MSXα computations and XPS experiments. Reasonable argeement is found between the qualitative structure of the molecular orbital diagram and the XPS spectrum. The visible spectrum is also discussed and the calculation is compared to previous semi-empirical computations. On the other hand, it is shown that a similar calculation on the zinc tetraazaporphyrin — selected as a model molecule — cannot be used to interpret the electronic properties of the phthalocyanine.Keywords
This publication has 0 references indexed in Scilit: