How Methylation Modifies the Photophysics of the Native All-trans-Retinal Protonated Schiff Base: A CASPT2/MD Study in Gas Phase and in Methanol-Reference-Cited by-同舟云学术

How Methylation Modifies the Photophysics of the Native All-trans-Retinal Protonated Schiff Base: A CASPT2/MD Study in Gas Phase and in Methanol

Published:2018-02-28 Issue:11 Volume:122 Page:3096-3106
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Barata-Morgado Rute¹,Sánchez M. Luz¹,Muñoz-Losa Aurora²,Martín M. Elena¹^ORCID,Olivares del Valle Francisco J.¹,Aguilar Manuel A.¹^ORCID

Affiliation:

1. Área de Química Física, University of Extremadura, Avda. Elvas s/n, Edif. José Ma Viguera Lobo 3a, planta, Badajoz 06006, Spain

2. Dpto. Didáctica de las Ciencias Experimentales y Matemáticas, Facultad de Formación del Profesorado, University of Extremadura, Avda. Universidad s/n, Cáceres 10003, Spain

Funder

Consejer?a de Econom?a, Comercio e Innovaci?n of the Gobierno de Extremadura

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.8b00773

Reference74 articles.

1. Impacts of retinal polyene (de)methylation on the photoisomerization mechanism and photon energy storage of rhodopsin

2. The Origin of Bond Selectivity and Excited-State Reactivity in Retinal Analogues

3. Dynamical Correlation Effects on Photoisomerization: Ab Initio Multiple Spawning Dynamics with MS-CASPT2 for a Model trans-Protonated Schiff Base

4. Control Mechanisms of Photoisomerization in Protonated Schiff Bases

5. The photoisomerization of 11-cis-retinal protonated schiff base in gas phase: Insight from spin-flip density functional theory

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