Olivucci, M;
Tran, T;
Worth, GA;
Robb, MA;
(2021)
Unlocking the Double Bond in Protonated Schiff Bases by Coherent Superposition of S1 and S2.
The Journal of Physical Chemistry Letters
, 12
pp. 5639-5643.
10.1021/acs.jpclett.1c01379.
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Abstract
The primary event occurring during the E-to-Z photoisomerization reaction of retinal protonated Schiff base (rPSB) is single-to-double bond inversion. In this work we examine the nuclear dynamics that occurs when the initial excited state is a superposition of the S_{1} and S_{2} electronic excited states that might be created in a laser experiment. The nuclear dynamics is dominated by double bond inversion that is parallel to the derivative coupling vector of S_{1} and S_{2}. Thus, the molecule behaves as if it were at a conical intersection even if the states are nondegenerate.
| Type: | Article |
|---|---|
| Title: | Unlocking the Double Bond in Protonated Schiff Bases by Coherent Superposition of S1 and S2 |
| Location: | United States |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1021/acs.jpclett.1c01379 |
| Publisher version: | https://doi.org/10.1021/acs.jpclett.1c01379 |
| Language: | English |
| Additional information: | © 2021 The Authors. Published by American Chemical Society. This is an Open Access article published under the terms of a Creative Commons license (https://creativecommons.org/licenses/by-nc-nd/4.0/). |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/10129610 |
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