Brownian molecular rotors: Theoretical design principles and predicted realizations

Schönborn, Jan Boyke; Herges, Rainer ORCID; Hartke, Bernd ORCID

We propose simple design concepts for molecular rotors driven by Brownian motion and external photochemical switching. Unidirectionality and efficiency of the motion is measured by explicit simulations. Two different molecular scaffolds are shown to yield viable molecular rotors when decorated with suitable substituents.

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Schönborn, Jan / Herges, Rainer / Hartke, Bernd: Brownian molecular rotors: Theoretical design principles and predicted realizations. 2009.

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