English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

In this paper we use ab initio multiconfigurational second-order perturbation theory to establish the intrinsic photoisomerization path model of retinal chromophores. This is accomplished by computing the ground state (S(0)) and the first two singlet excited-state (S(1), S(2)) energies along the rigorously determined photoisomerization coordinate of the rhodopsin chromophore model 4-cis-gamma-methylnona-2,4,6,8-tetraeniminium cation and the bacteriorhodopsin chromophore model all-trans-hepta-2,4, 6-trieniminium cation in isolated conditions. The computed S(2) and S(1) energy profiles do not show any avoided crossing feature along the S(1) reaction path and maintain an energy gap &gt;20 kcal small middle dotmol(-1). In addition, the analysis of the charge distribution shows that there is no qualitative change in the S(2) and S(1) electronic structure along the path. Thus, the S(1) state maintains a prevalent ionic (hole-pair) character whereas the S(2) state maintains a covalent (dot-dot) character. These results, together with the analysis of the S(1) reaction coordinate, support a two-state, two-mode model of the photoisomerization that constitutes a substantial revision of the previously proposed models.

Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerization