J -H Fuhrhop
Articles written in Journal of Chemical Sciences
Volume 97 Issue 5-6 December 1986 pp 601-606 Physical and Theoretical
The influence of metal ion on the oxidation and ionisation potentials of metalloporphyrins is investigated by the simple electrostatic model using SCF perturbation theory. The zero order wavefunctions are obtained from PPP and CNDO/2 methods. The wide variations in redox potentials with metal and the relative insensitivity of the optical transitions with metal are very well accounted for by the perturbation approach.
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