Rh-catalyzed polymerization of phenylacetylene: Theoretical studies of the reaction mechanism, regioselectivity, and stereoregularity

Journal of the American Chemical Society

Volumn 133, Issue 20, 2011, Pages 7926-7941

  Ke, Zhuofeng ^a   Abe, Satoshi ^b   Ueno, Takafumi ^b   Morokuma, Keiji ^a,c  

^a KYOTO UNIVERSITY   (Japan)

^b KYOTO UNIVERSITY   (Japan)

^c EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENTHALPIES; ACTIVE SPECIES; CONFORMATIONAL CONSTRAINTS; CONJUGATED BACKBONES; ELECTRICAL AND OPTICAL PROPERTIES; HELICAL CONFORMATION; INSERTION MECHANISM; KINETIC FACTORS; METATHESIS MECHANISMS; PHENYLACETYLENES; POLY(PHENYLACETYLENE); REACTION MECHANISM; REGIO-SELECTIVE; STEREOREGULARITY; STERIC REPULSIONS; THEORETICAL STUDY; TRANSITION STATE;

ACETYLENE; AROMATIC HYDROCARBONS; CATALYSIS; ELECTRIC PROPERTIES; KINETICS; OPTICAL PROPERTIES; ORGANIC POLYMERS; POLYMERIZATION; REGIOSELECTIVITY; STEREOCHEMISTRY;

RHODIUM;

CARBENE; PHENYLACETYLENE; RHODIUM;

ARTICLE; CATALYSIS; CATALYST; CHEMICAL REACTION KINETICS; CHEMICAL STRUCTURE; CONFORMATION; CONJUGATION; DENSITY FUNCTIONAL THEORY; ENTHALPY; ENTROPY; POLYMERIZATION; STEREOCHEMISTRY; THEORETICAL STUDY; THERMODYNAMICS;

EID: 79957744391     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja2012565     Document Type: Article

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