Insertion of molecular oxygen into a palladium-hydride bond: Computational evidence for two nearly isoenergetic pathways

Journal of the American Chemical Society

Volumn 129, Issue 14, 2007, Pages 4410-4422

  Popp, Brian V ^a   Stahl, Shannon S ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; HYDRIDES; MOLECULAR OXYGEN; OXIDATION; REACTION KINETICS;

AEROBIC OXIDATION REACTIONS; HYDROGEN ATOM ABSTRACTION (HAA); ISOENERGETIC PATHWAYS; KINETIC BARRIERS;

PALLADIUM;

CARBENE; HYDROGEN; HYDROPEROXIDE; OXYGEN; PALLADIUM; SUPEROXIDE;

ARTICLE; CATALYSIS; CHEMICAL BOND; CHEMICAL REACTION; CHEMICAL STRUCTURE; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; OXIDATION; REACTION ANALYSIS; THERMODYNAMICS;

EID: 34247125694     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja069037v     Document Type: Article

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