Sp3-sp2 vs sp3-sp3 C-C site selectivity in Rh-catalyzed ring opening of benzocyclobutenol: A DFT study

Journal of the American Chemical Society

Volumn 136, Issue 1, 2014, Pages 169-178

  Ding, Lina ^a   Ishida, Naoki ^b   Murakami, Masahiro ^b   Morokuma, Keiji ^a  

^a KYOTO UNIVERSITY   (Japan)

^b KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE CATALYST; C-C BOND ACTIVATION; CATALYTIC CYCLES; CLEAVAGE REACTION; ELEMENTARY STEPS; SITE SELECTIVITY; STERIC REPULSIONS; TRANSITION STATE;

CATALYSIS; CATALYSTS; CHEMICAL BONDS; PHOSPHORUS COMPOUNDS; PROTON TRANSFER;

RHODIUM;

BENZOCYCLOBUTENOL; CHEMICAL COMPOUND; DIMETHYL SULFOXIDE; PHOSPHINE; RHODIUM DERIVATIVE; RHODIUM HYDROXIDE; TOLUENE; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CATALYSIS; CATALYST; CHEMICAL INTERACTION; CHEMICAL PARAMETERS; DENSITY FUNCTIONAL THEORY; PROTON TRANSPORT; REACTION ANALYSIS; REGENERATION; RING OPENING;

EID: 84892188114     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja407422q     Document Type: Article

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