Computational explorations of mechanisms and ligand-directed selectivities of copper-catalyzed ullmann-type reactions

Journal of the American Chemical Society

Volumn 132, Issue 17, 2010, Pages 6205-6213

  Jones, Gavin O ^a   Liu, Peng ^b   Houk, K N ^b   Buchwald, Stephen L ^a  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION STEPS; ARYL HALIDES; ARYLATION REACTIONS; ARYLATIONS; BOND METATHESIS; COMPLEX FORMATIONS; COMPUTATIONAL EXPLORATION; COMPUTATIONAL INVESTIGATION; COUPLING REACTION; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIKETONES; ELECTRON-DONATING ABILITY; FUNCTIONALS; IODINE ATOMS; IODOBENZENE; N-ARYLATION REACTIONS; N-ARYLATIONS; PHENANTHROLINES; SET MECHANISM; SINGLE ELECTRON TRANSFER;

AROMATIC COMPOUNDS; CHEMICAL BONDS; CHEMICAL REACTIONS; DENSITY FUNCTIONAL THEORY; IODINE; KETONES; METAL HALIDES; METHANOL; NUCLEOPHILES; SINGLE ELECTRON TRANSISTORS; TRANSIENTS;

LIGANDS;

1,10 PHENANTHROLINE COPPER; 1,3 DIKETONE; COPPER; COPPER COMPLEX; IODINE; IODOBENZENE; LIGAND; METHANOL; METHYLAMINE; NUCLEOPHILE;

ARTICLE; ARYLATION; CATALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE; ELECTRON TRANSPORT; OXIDATION REDUCTION REACTION; RING CLOSING METATHESIS;

CATALYSIS; COMPUTER SIMULATION; COPPER; IODOBENZENES; LIGANDS; METHANOL; METHYLAMINES; MODELS, CHEMICAL; PHENANTHROLINES;

EID: 77951699144     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja100739h     Document Type: Article

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