Computational study on the working mechanism of a stilbene light-driven molecular rotary motor: Sloped minimal energy path and unidirectional nonadiabatic photoisomerization

Journal of the American Chemical Society

Volumn 134, Issue 10, 2012, Pages 4864-4876

  Liu, Fengyi ^a   Morokuma, Keiji ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BOND ROTATIONS; CIS-TRANS; COMPUTATIONAL STUDIES; CONICAL INTERSECTION; INVERSION BARRIERS; MINIMAL ENERGY; MINIMAL ENERGY REACTION PATHS; MULTIMODES; NON-ADIABATIC; PHENYL MOIETIES; PHOTOISOMERIZATION REACTION; REACTION MODES; REACTION PATHS; ROTARY MOTOR; STEEP SLOPE; WORKING MECHANISMS;

QUANTUM CHEMISTRY; ROTATING MACHINERY; STEREOCHEMISTRY;

EXCITED STATES;

MOLECULAR MOTOR; STILBENE;

ADIABATICITY; ARTICLE; CHEMICAL BOND; CHEMICAL REACTION; CHEMICAL STRUCTURE; ENERGY; GEOMETRY; ISOMERIZATION; MATHEMATICAL COMPUTING; PHOTODYNAMICS; SURFACE PROPERTY;

ISOMERISM; LIGHT; PHOTOCHEMISTRY; STILBENES;

EID: 84863277642     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja211441n     Document Type: Article

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