We are grateful to VW-Stiftung and to FCI for funding. The simulations were performed at NIC Jülich, Bovilab@RUB, and RV-NRW.
Unraveling a Chemically Enhanced Photoswitch: Bridged Azobenzene†
Article first published online: 25 MAR 2010
Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Angewandte Chemie International Edition
Volume 49, Issue 19, pages 3382–3384, April 26, 2010
How to Cite
Böckmann, M., Doltsinis, Nikos L. and Marx, D. (2010), Unraveling a Chemically Enhanced Photoswitch: Bridged Azobenzene. Angew. Chem. Int. Ed., 49: 3382–3384. doi: 10.1002/anie.200907039
- Issue published online: 20 APR 2010
- Article first published online: 25 MAR 2010
- Manuscript Revised: 27 JAN 2010
- Manuscript Received: 14 DEC 2009
- ab initio calculations;
- azo compounds;
- molecular dynamics;
Counterintuitively improved photoswitching properties of bridged azobenzene compared to the unbridged counterpart (see picture) were demonstrated recently. Mechanistic insights obtained from nonadiabatic ab initio molecular dynamics reveal that the bridge suitably preorients the phenyl rings and thus enhances the EZ quantum yield and shortens the lifetime of the first excited state.