A DFT study of the thermal, orbital symmetry forbidden, cyclophanediene to dihydropyrene electrocyclic reaction. Predictions to improve the dimethyldihydropyrene photoswitches

Journal of the American Chemical Society

Volumn 127, Issue 46, 2005, Pages 16207-16214

  Williams, Richard Vaughan ^a   Edwards, W Daniel ^a   Mitchell, Reginald H ^b   Robinson, Stephen G ^b  

^a UNIVERSITY OF IDAHO   (United States)

^b UNIVERSITY OF VICTORIA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ANALYSIS; PHASE TRANSITIONS; PHOTOSENSITIVITY; SUBSTITUTION REACTIONS; SWITCHES;

DENSITY FUNCTIONAL THEORY (DFT); ELECTROCYCLIC EQUILIBRIA; ORBITAL SYMMETRY;

REACTION KINETICS;

CYCLOPHANE DERIVATIVE; CYCLOPHANEDIENE; DIHYDROPYRENE; DIMETHYLDIHYDROPYRENE; METHYL GROUP; PYRENE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; DENSITY FUNCTIONAL THEORY; ELECTRICITY; MATHEMATICAL MODEL; PHASE TRANSITION; PREDICTION; REACTION ANALYSIS; TEMPERATURE DEPENDENCE; THERMAL ANALYSIS;

EID: 28044439870     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja054553r     Document Type: Article

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