In this paper, pump-probe spectroscopy with simultaneous sub-20-fs time resolution and broad spectral coverage from the visible to the near infrared was used to track the wavepacket motion through a conical intersection (CI) in rhodopsin (Rh). Results show that the wavepacket reaches the CI in ≈75 fs, after which it leaves the excited state of the reactant. The transient signals were simulated by hybrid quantum-mechanical/molecular-mechanical trajectories following the evolution of the opsin-embedded chromophore from the excited to the ground electronic state. Excellent agreement between the experimental observations and molecular dynamics calculations that involve a true electronic state crossing were observed. This suggests that the CI seam has a strongly “peaked” topography.

Conical intersection dynamics in Rhodopsin and its analog isorhodopsin

POLLI, DARIO;BRIDA, DANIELE;MANZONI, CRISTIAN;CERULLO, GIULIO NICOLA
2013

Abstract

In this paper, pump-probe spectroscopy with simultaneous sub-20-fs time resolution and broad spectral coverage from the visible to the near infrared was used to track the wavepacket motion through a conical intersection (CI) in rhodopsin (Rh). Results show that the wavepacket reaches the CI in ≈75 fs, after which it leaves the excited state of the reactant. The transient signals were simulated by hybrid quantum-mechanical/molecular-mechanical trajectories following the evolution of the opsin-embedded chromophore from the excited to the ground electronic state. Excellent agreement between the experimental observations and molecular dynamics calculations that involve a true electronic state crossing were observed. This suggests that the CI seam has a strongly “peaked” topography.
2013 Conference on Lasers and Electro-Optics Europe and International Quantum Electronics Conference, CLEO/Europe-IQEC 2013
978-1-4799-0594-2
978-1-4799-0593-5
978-1-4799-0594-2
978-1-4799-0593-5
Electrical and Electronic Engineering
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11311/978660
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