Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 104, Issue 6, Pages 1146-1149Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp992939g
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The photoisomerization of retinal in rhodopsin is modeled by a vibronically coupled electronic two-state system, taking into account a collective reaction coordinate and the ethylenic stretch mode. The model qualitatively reproduces all available spectroscopic information on rhodopsin and accounts for its high reaction efficiency. Quantum simulations of femtosecond time-resolved experiments suggest that the prominent 60 cm(-1) oscillations observed in experiments are due to nonadiabatic wave packet motion along the reaction coordinate. This indicates that the protein is capable of providing an almost friction-free environment for retinal up to approximate to 2 ps, thereby catalyzing the photoreaction.
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