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Light‐Driven Unidirectional Rotation in a Molecule: ROKS Simulation
Author(s) -
Grimm Stephan,
Bräuchle Christoph,
Frank Irmgard
Publication year - 2005
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200400529
Subject(s) - excited state , rotation (mathematics) , molecule , rotation around a fixed axis , chemical physics , molecular dynamics , dynamics (music) , motion (physics) , physics , chemistry , molecular physics , classical mechanics , atomic physics , computational chemistry , quantum mechanics , geometry , acoustics , mathematics
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.