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.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry