Surface-mounted altitudinal molecular rotors in alternating electric field: single-molecule parametric oscillator molecular dynamics.

ABSTRACT: Molecular dynamics simulations of the response to oscillating electric field elicited from an altitudinal dipolar molecular rotor mounted on the Au(111) surface and previously studied experimentally in static fields show unidirectional rotation in one of the three pairs of conformational enantiomers. The simulations are based on the universal force field and take into account electronic friction in the metal through its effect on the image charges. The rotor consists of two cobalt sandwich posts whose upper decks carry a biphenyl-like rotator with a dipole moment perpendicular to the rotation axle, mounted parallel to the surface. A phase diagram of rotor performance at 10 K as a function of field frequency and amplitude contains five unidirectional rotation regions: synchronous, half-sync

SUBMITTER: Horinek D 

PROVIDER: S-EPMC1242313 | biostudies-literature | 2005 Oct

REPOSITORIES: biostudies-literature