Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12779/5351
Title: Tracking the Excited State Time Evolution of the Visual Pigment with Multiconfigurational Quantum Chemistry
Authors: FRUTOS L., M
Andruniów, T
Santoro, S
Ferré, N
Olivucci, Massimo 
Issue Date: 2007
Project: None 
Journal: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Abstract: 
The primary event that initiates vision is the photoinduced isomerizationof retinal in the visual pigment rhodopsin (Rh). Here, we usea scaled quantum mechanics/molecular mechanics potential thatreproduces the isomerization path determined with multiconfigurationalperturbation theory to follow the excited-state evolutionof bovine Rh. The analysis of a 140-fs trajectory provides a descriptionof the electronic and geometrical changes that preparethe system for decay to the ground state. The data uncover acomplex change of the retinal backbone that, at 60-fs delay,initiates a space saving ‘‘asynchronous bicycle-pedal or crankshaft’’motion, leading to a conical intersection on a 110-fs time scale. Itis shown that the twisted structure achieved at decay features amomentum that provides a natural route toward the photoRhstructure recently resolved by using femtosecond-stimulated Raman spectroscopy.
Description: 
20055
URI: http://hdl.handle.net/20.500.12779/5351
ISSN: 0027-8424
DOI: 10.1073/pnas.0701732104
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