title: Modelling vibrational coherence in the primary rhodopsin photoproduct.
abstract: 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.
authors.affiliation: Institut für Theoretische Chemie und Computerchemie, Heinrich Heine Universität Düsseldorf, Universitätsstr. 1, D-40225 Düsseldorf, Germany.
authors.forename: O
authors.initials: O
authors.lastname: Weingart
authors.forename: M
authors.initials: M
authors.lastname: Garavelli
mesh_terms: D056004:Molecular Dynamics Simulation; D009068:Movement; D055668:Photochemical Processes; D011487:Protein Conformation; D012243:Rhodopsin / Q000737:chemistry* / Q000378:metabolism; D013237:Stereoisomerism; D013696:Temperature; D013816:Thermodynamics; D014732:Vibration
chemical_list: C045414:photorhodopsin; D012243:Rhodopsin