Pd(OAc)2-catalyzed C-H activation/C-O cyclization: Mechanism, role of oxidant - Probed by density functional theory

Journal of Organic Chemistry

Volumn 78, Issue 17, 2013, Pages 8376-8385

  Lian, Bing ^a   Zhang, Lei ^a   Chass, Gregory Adam ^b   Fang, De Cai ^a  

^a BEIJING NORMAL UNIVERSITY   (China)

^b QUEEN MARY UNIVERSITY OF LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS-IN-MOLECULES; CHEMICAL TRANSFORMATIONS; CONFORMATIONAL ANALYSIS; GEOMETRIC STRUCTURE; INTRINSIC REACTION COORDINATE; REACTION MECHANISM; REDUCTIVE ELIMINATION; SOLVENT CONTRIBUTION;

ACTIVATION ANALYSIS; CATALYSIS; CYCLIZATION; DENSITY FUNCTIONAL THEORY; OXIDANTS;

PALLADIUM;

BUTANOL; OXIDIZING AGENT; PALLADIUM ACETATE; PERFLUOROBENZENE; SOLVENT; UNCLASSIFIED DRUG;

ARTICLE; BIOTRANSFORMATION; CATALYSIS; CATALYST; CHEMICAL BOND; CHEMICAL STRUCTURE; CONFORMATION; CYCLIZATION; DENSITY FUNCTIONAL THEORY; ELIMINATION REACTION; OXIDATION; REACTION ANALYSIS; REDUCTION; STEREOSPECIFICITY; THERMODYNAMICS;

ACETATES; CATALYSIS; CYCLIZATION; ETHERS; MOLECULAR STRUCTURE; ORGANOMETALLIC COMPOUNDS; OXIDANTS; QUANTUM THEORY; THERMODYNAMICS;

EID: 84883801347     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo4010712     Document Type: Article

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