Düsseldorf 2007 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Downloads | Hilfe

SYFM: Symposium Quantenkontrolle funktionaler Moleküle

SYFM 1: Quantum control of functional molecules I

SYFM 1.1: Hauptvortrag

Mittwoch, 21. März 2007, 14:00–14:30, 6C

Control strategies for molecular switches in donor-bridge-acceptor systems — •Regina de Vivie-Riedle and Dorothee Geppert — Department Chemie, Universität München, Butenandtstr. 11, 81377 München, Germany

Bistable fulgides are promising candidates for optical molecular switches and are already tested as switchable bridge molecules in donor-bridge-acceptor (DBA) systems. The transition between the two stable isomers can be induced by laser light and is then mediated via conical intersections. Only one isomeric form allows energy transfer from D to A. Our aim is to formulate realistic strategies based on ab initio data to optimize the optical On/Off switching process. We perform quantum chemical calculations for the DBA moiety and detailed quantum dynamical studies for the switching process. Different control strategies for the switching process including intermediate targets on the excited state as well as ground state targets are developed. The optimized laser fields are found applying optimal control theory and are subsequently analyzed to enlighten the underlying control mechanisms. A decomposition extracts the leading field components and enables a simplified reconstruction by Gaussian laser pulses [1]. Our studies show that laser control of chemical relevant reactions is within reach for experimental realization with high quantum yield and opens the way to design functional molecular devices.

[1] D. Geppert and R. de Vivie-Riedle, J. Photochem. Photobiol. A 180 (2006) 282-288.