Insights into amine binding to biaryl phosphine palladium oxidative addition complexes and reductive elimination from biaryl phosphine arylpalladium amido complexes via density functional theory

Journal of the American Chemical Society

Volumn 129, Issue 39, 2007, Pages 12003-12010

  Barder, Timothy E ^a   Buchwald, Stephen L ^a  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADDITION COMPLEXES; AMINE BINDING;

ADDITION REACTIONS; BINDING ENERGY; COMPLEXATION; DENSITY FUNCTIONAL THEORY; OXIDATION; REDUCTION;

AMINES;

2 DICYCLOHEXYLPHOSPHINO 2',4',6' TRIISOPROPYLBIPHENYL; 2 DICYCLOHEXYLPHOSPHINO 2',6' DIMETHOXYBIPHENYL; AMINE; PALLADIUM; PHOSPHINE; UNCLASSIFIED DRUG;

ADDITION REACTION; AMINATION; ARTICLE; CHEMICAL BINDING; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; ELIMINATION REACTION; LIGAND BINDING; METAL BINDING; OXIDATION KINETICS; REDUCTION KINETICS; THERMODYNAMICS;

AMINES; BIPHENYL COMPOUNDS; CRYSTALLOGRAPHY, X-RAY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OXIDATION-REDUCTION; PALLADIUM; PHOSPHINES; SURFACE PROPERTIES; THERMODYNAMICS;

EID: 34848906256     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja073747z     Document Type: Article

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