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Is the Photoinduced Isomerization in Retinal Protonated Schiff Bases a Single- or Double-Torsional Process?
- 1.0333449 - ÚOCHB 2010 RIV US eng J - Journal Article
Szymczak, J. J. - Barbatti, M. - Lischka, Hans
Is the Photoinduced Isomerization in Retinal Protonated Schiff Bases a Single- or Double-Torsional Process?
Journal of Physical Chemistry A. Roč. 113, č. 43 (2009), s. 11907-11918. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : nonadiabatic photodynamical simulations * retinal protonated Schiff base * cis-trans isomerization processes
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.899, year: 2009
Nonadiabatic photodynamical simulations are presented for the all-trans and 5-cis isomers of the hepta-3,5,7- trieniminium cation (PSB4) to characterize the types of torsional modes occurring in the cis-trans isomerization processes in retinal protonated Schiff base (RPSB), the rhodopsin and bacteriorhodopsin chropomhore. The most important mechanism driving restricted PSB4 isomerization in the excited state is characterized by two concerted twist motions (bipedal and closely related to it nonrigid bipedal), with only one torsion tends to relax into the ground state.
Permanent Link: http://hdl.handle.net/11104/0005570
Number of the records: 1