Light-driven unidirectional rotation in a molecule: ROKS simulation.
We present a first-principles molecular dynamics study of the excited-state motion in a molecule that has recently been proven to exhibit light-driven unidirectional rotation. The simulations show that the directed motion is due to the complex excited-state dynamics on ultrashort timescales in the chiral system.
Grimm
Stephan
S
Department Chemie und Biochemie and Center for Nanoscience (CeNS), Ludwig-Maximilians-Universität München, Butenandtstr. 11, 81377 München, Germany.
Bräuchle
Christoph
C
Frank
Irmgard
I