Quantum Chemical Modeling and Preparation of a Biomimetic Photochemical Switch (pages 414–420)
Flavio Lumento, Vinicio Zanirato, Stefania Fusi, Elena Busi, Loredana Latterini, Fausto Elisei, Adalgisa Sinicropi, Tadeusz Andruniów, Nicolas Ferré, Riccardo Basosi and Massimo Olivucci
Article first published online: 5 DEC 2006 | DOI: 10.1002/anie.200602915
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.