Vibronic effects in porphyrin optical-absorption band splitting

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Abstract

A four-orbital model is applied to the joint effects from an external field, sym-metry b1g, and vibronic interaction showing displacement with the same symmetry on the forms of the adiabatic potentials for the B and Q metal-porphyrin states. The high-symmetry nuclear configurtion in state Q is distorted more than that in state B, which explains the substantially larger splitting for the Q band by comparison with B in the presence of low-symmetry substituents and/or external fields, as well as why the splitting is dependent on the metal.

Original languageEnglish
Pages (from-to)647-652
Number of pages6
JournalTheoretical and Experimental Chemistry
Volume23
Issue number6
DOIs
StatePublished - Nov 1988
Externally publishedYes

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