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Journal Article

Modelling vibrational coherence in the primary rhodopsin photoproduct


Weingart,  Oliver
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Heinrich Heine Universität Düsseldorf, Institut für Theoretische Chemie und Computerchemie;

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Weingart, O., & Garavelli, M. (2012). Modelling vibrational coherence in the primary rhodopsin photoproduct. The Journal of Chemical Physics, 137(22): 22A523. doi:10.1063/1.4742814.

Cite as: https://hdl.handle.net/11858/00-001M-0000-000E-F297-7
Molecular dynamics simulations of the rhodopsin photoreaction reveal coherent low frequency oscillations in the primary photoproduct (photorhodopsin), with frequencies slightly higher than observed in the experiment. The coherent molecular motions in the batho-precursor can be attributed to the activation of ground state vibrational modes in the hot photo-product, involving out-of-plane deformations of the carbon skeleton. Results are discussed and compared with respect to spectroscopic data and suggested reaction mechanisms. (C) 2012 American Institute of Physics.