Unlocking the Double Bond in Protonated Schiff Bases by Coherent Superposition of S1 and S2.
J Phys Chem Lett
; 12(23): 5639-5643, 2021 Jun 17.
Article
in En
| MEDLINE
| ID: mdl-34110826
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 S1 and S2 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 S1 and S2. Thus, the molecule behaves as if it were at a conical intersection even if the states are nondegenerate.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
J Phys Chem Lett
Year:
2021
Document type:
Article
Affiliation country:
Italy