English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Periodic decay in the photoisomerisation of p-aminoazobenzene

Gámez, J. A., Weingart, O., Koslowski, A., & Thiel, W. (2013). Periodic decay in the photoisomerisation of p-aminoazobenzene. Physical Chemistry Chemical Physics, 15(28), 11814-11821. doi:10.1039/C3CP51316E.

Item is

Files

show Files

Locators

show

Creators

show
hide
 Creators:
Gámez, José Antonio1, Author              
Weingart, Oliver2, Author
Koslowski, Axel1, Author              
Thiel, Walter1, Author              
Affiliations:
1Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              
2Institut für Theoretische Chemie und Computerchemie, Heinrich-Heine-Universitat Düsseldorf, Universitätsstr. 1, 40225 Düsseldorf, Germany, ou_persistent22              

Content

show
hide
Free keywords: -
 Abstract: Semiempirical OM2/MRCI surface-hopping simulations have been performed to study the E → Z and Z → E isomerisations of p-aminoazobenzene upon photoexcitation to the S1 state (nπ*). The overall mechanism is similar to the one found previously for the unsubstituted parent system, although there is a moderate speedup of the decay to the ground state because of the steeper excited-state potential between the Franck–Condon region and the conical intersection seam. The decay dynamics to the ground state shows an oscillatory pattern that can be attributed to an out-of-plane rotation of the N2 moiety. The reaction is thus initially driven by N2 rotation, which triggers phenyl rotations around the C–N bonds. The Z isomer is produced most effectively when the phenyl rings rotate in phase.

Details

show
hide
Language(s): eng - English
 Dates: 2013-03-282013-03-172013-03-232013-07-28
 Publication Status: Published in print
 Pages: 8
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1039/C3CP51316E
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: Physical Chemistry Chemical Physics
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Cambridge [England] : Royal Society of Chemistry
Pages: - Volume / Issue: 15 (28) Sequence Number: - Start / End Page: 11814 - 11821 Identifier: ISSN: 1463-9076
CoNE: https://pure.mpg.de/cone/journals/resource/954925272413_1