TCB Publications - Abstract

G. Orlandi and Klaus Schulten. Coupling of stereochemistry and proton donor-acceptor properties of a Schiff base: A model of a light-driven proton pump. Chemical Physics Letters, 64:370-374, 1979.

ORLA79 On the basis of MINDO/3, MINDO/3 CI and MNDO calculations it is demonstrated that the (photo-)isomerization (single and double bond rotations) of a Schiff base polyene depends strongly on the protonation state. The results are pertinent to the ground state behaviour and the photobehaviour of retinal in bacteriorhodopsin, a protein which acts as a light-driven proton pump in Halobacterium halobium.

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