Jump to main content
Jump to site search
PLANNED MAINTENANCE Close the message box

Scheduled maintenance work on Wednesday 21st October 2020 from 07:00 AM to 07:00 PM (BST).

During this time our website performance may be temporarily affected. We apologise for any inconvenience this might cause and thank you for your patience.


Issue 23, 2017
Previous Article Next Article

Fano resonances in the photoinduced H-atom elimination dynamics in the πσ* states of pyrrole

Author affiliations

Abstract

Fano resonances are predicted to be prominent features of the πσ* photochemistry of pyrrole. The Fano interference leads to distorted absorption bands and internally hot photofragments. The interference, studied using high level ab initio theory and quantum mechanics, is supported by two distinct dynamical scenarios controlled by two exit channel conical intersections between the πσ* states and the ground electronic state [X with combining tilde]. For the lowest state 1A2(πσ*), the coupling at the conical intersection is weak, and the interfering dissociation pathways are diabatic; for the higher lying 1B1(πσ*) state, the coupling at the conical intersection is strong, and the interfering dissociation pathways are adiabatic. Both scenarios persist with increasing number of degrees of freedom included in the dynamic modelling. They are expected to be operative in the πσ* photochemistry of a broad class of model UV biochromophores.

Graphical abstract: Fano resonances in the photoinduced H-atom elimination dynamics in the πσ* states of pyrrole

Back to tab navigation

Supplementary files

Article information


Submitted
03 Mar 2017
Accepted
23 May 2017
First published
24 May 2017

Phys. Chem. Chem. Phys., 2017,19, 14902-14906
Article type
Communication

Fano resonances in the photoinduced H-atom elimination dynamics in the πσ* states of pyrrole

S. Yu. Grebenshchikov and D. Picconi, Phys. Chem. Chem. Phys., 2017, 19, 14902
DOI: 10.1039/C7CP01401E

Social activity

Search articles by author

Spotlight

Advertisements