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. 2017 Aug 3;7:7217. doi: 10.1038/s41598-017-07363-w

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© The Author(s) 2017

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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CASPT2//CASSCF(12,12) photoisomerization pathways from the all-trans retinal conformer, when the retinal Schiff base is hydrogen-bonded to Glu162. S₀ (black closed squires with black solid line), S₁ (red closed dots with red solid line) and S₂ (green closed triangles with green solid line) energy profiles are shown. The blue arrow shows light excitation of all-trans retinal as performed on our pump-probe and pump-dump-probe spectroscopic experiments. The open red dot shows the Franck–Condon state (F.C.) The solid gray arrow shows the isomerization path through energy barrier of 1.96 kcal/mol (0.09 eV) on S₁ via a conical intersection CI₁. The dashed gray arrow indicates a relaxation path through energy barrier of 7.42 kcal/mol (0.32 eV) on S₁ via another conical intersection CI₂.