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.
Lumento, F., Zanirato, V., Fusi, S., Busi, E., Latterini, L., Elisei, F., et al. (2007). Quantum chemical modeling and preparation of a biomimetic photochemical switch. ANGEWANDTE CHEMIE. INTERNATIONAL EDITION, 46(3), 414-420 [10.1002/anie.200602915].
Quantum chemical modeling and preparation of a biomimetic photochemical switch
Fusi, S.;Busi, E.;Sinicropi, Adalgisa;Basosi, R.;Olivucci, M.
2007-01-01
Abstract
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.
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https://hdl.handle.net/11365/419258