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Quantum Chemical Modeling and Preparation of a Biomimetic Photochemical Switch
Author(s) -
Lumento Flavio,
Zanirato Vinicio,
Fusi Stefania,
Busi Elena,
Latterini Loredana,
Elisei Fausto,
Sinicropi Adalgisa,
Andruniów Tadeusz,
Ferré Nicolas,
Basosi Riccardo,
Olivucci Massimo
Publication year - 2007
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200602915
Subject(s) - photoisomerization , chromophore , rhodopsin , molecular mechanics , molecular switch , quantum chemical , quantum , quantum optics , photochemistry , chemistry , chemical physics , nanotechnology , materials science , isomerization , molecular dynamics , computational chemistry , physics , quantum mechanics , molecule , retinal , organic chemistry , biochemistry , catalysis
Designing and testing biomimetic switches : Multireference perturbation theory is used to model a light‐driven molecular switch featuring the same photoisomerization mechanism as the chromophore of the visual pigment rhodopsin (see picture; QM/MM: quantum mechanics/molecular mechanics). By exploiting a synthetic route based on nitrilium‐cation cyclization, it was shown that the designed system can indeed be prepared and characterized.