TY - JOUR
T1 - Coupling of stereochemistry and proton donor-acceptor properties of a schiff base, a model of a light-driven proton pump
AU - Orlandi, G.
AU - Schulten, Klaus
N1 - Funding Information:
G-0. is grateful to the A_ von Humboldt Foundation for granting a fellowship for his stay at Gottingen and likes to thank A. Weller and M. Stockburger for their kind hospitality_ This work has much benefitted from discussions with B. Honig and from a grant by the
PY - 1979/7/1
Y1 - 1979/7/1
N2 - 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.
AB - 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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U2 - 10.1016/0009-2614(79)80534-5
DO - 10.1016/0009-2614(79)80534-5
M3 - Article
AN - SCOPUS:0013127874
SN - 0009-2614
VL - 64
SP - 370
EP - 374
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 2
ER -