Ontology highlight
ABSTRACT:
SUBMITTER: Nikiforov A
PROVIDER: S-EPMC4707559 | biostudies-literature | 2016 Jan
REPOSITORIES: biostudies-literature
The journal of physical chemistry letters 20151218 1
Two new light-driven molecular rotary motors based on the N-alkylated indanylidene benzopyrrole frameworks are proposed and studied using quantum chemical calculations and nonadiabatic molecular dynamics simulations. These new motors perform pure axial rotation, and the photochemical steps of the rotary cycle are dominated by the fast bond-length-alternation motion that enables ultrafast access to the S1/S0 intersection. The new motors are predicted to display a quantum efficiency higher than th ...[more]