On the electronic states of macrocycles of the extended porphyrin family and their coordination compounds

The electronic absorption spectra of Ni, Zn and Mg hemiporphyrazine derivatives are presented and discussed together with theoretical results obtained by INDO/S computations. The absorption spectra of all the metal derivatives show marked red shifts of the lowest energy absorption bands with respect...

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Bibliographic Details
Published in:Journal of molecular structure. Theochem 1997-02, Vol.390 (1), p.101-107
Main Authors: Bossa, Mario, Cervone, Elena, Garzillo, Carmine, Peluso, Andrea
Format: Article
Language:English
Subjects:
INDO/S
Macrocycle
Porphyrin
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Summary:The electronic absorption spectra of Ni, Zn and Mg hemiporphyrazine derivatives are presented and discussed together with theoretical results obtained by INDO/S computations. The absorption spectra of all the metal derivatives show marked red shifts of the lowest energy absorption bands with respect to those of the metal free hemiporphyrazine. The possible explanation that in metal derivatives low lying excited states with a fully conjugated π electron system are present is supported by theoretical computations.
ISSN:0166-1280
1872-7999
DOI:10.1016/S0166-1280(96)04764-1