TCB Publications - Abstract

Robert R. Birge, Klaus Schulten, and Martin Karplus. Possible influence of a low-lying "covalent" excited state on the absorption spectrum and photoisomerization of 11-cis retinal. Chemical Physics Letters, 31:451-454, 1975.

BIRG75 The anamolous temperature dependence of the absorption spectrum and photochemical isomerization efficiency of 11-cis retinal is analyzed in terms of an equilibrium mixture of distorted 12-s-cis and distorted 12-s-trans conformers with the latter increasingly populated at lower temperature and/or greater solvent polarity. Inclusion of all possible singly and doubly excited configurations in the PPP formalism predicts a conformationally variant level ordering in that all 12-s-sic conformations have a lowest excited "$^{1}B_{u}$" -like singlet state whereas the majority of the 12-s-trans conformations have a lowest excited "$^{1}A_{g}$" -like singlet state.

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