Light-driven unidirectional rotation in a molecule: ROKS simulation

Research output: Contribution to journal › Article › Research › peer review

Authors

  • Stephan Grimm
  • Christoph Bräuchle
  • Irmgard Frank

External Research Organisations

  • Ludwig-Maximilians-Universität München (LMU)
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Details

Original languageEnglish
Pages (from-to)1943-1947
Number of pages5
JournalChemPhysChem
Volume6
Issue number9
Publication statusPublished - 5 Sept 2005
Externally publishedYes

Abstract

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.

Keywords

    Density functional calculations, Isomerization, Molecular dynamics, Molecular rotor, Photoreactions

ASJC Scopus subject areas

Cite this

Light-driven unidirectional rotation in a molecule: ROKS simulation. / Grimm, Stephan; Bräuchle, Christoph; Frank, Irmgard.
In: ChemPhysChem, Vol. 6, No. 9, 05.09.2005, p. 1943-1947.

Research output: Contribution to journal › Article › Research › peer review

Grimm, S, Bräuchle, C & Frank, I 2005, 'Light-driven unidirectional rotation in a molecule: ROKS simulation', ChemPhysChem, vol. 6, no. 9, pp. 1943-1947. https://doi.org/10.1002/cphc.200400529
Grimm S, Bräuchle C, Frank I. Light-driven unidirectional rotation in a molecule: ROKS simulation. ChemPhysChem. 2005 Sept 5;6(9):1943-1947. doi: 10.1002/cphc.200400529
Grimm, Stephan ; Bräuchle, Christoph ; Frank, Irmgard. / Light-driven unidirectional rotation in a molecule : ROKS simulation. In: ChemPhysChem. 2005 ; Vol. 6, No. 9. pp. 1943-1947.
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