Density functional characterization of the chemoselective oxidation of catechol by using molecular oxygen: Thermodynamics of the reaction between [(triphos)Ir(dtbc)]+ and O2

Chemistry - A European Journal

Volumn 9, Issue 13, 2003, Pages 3015-3023

  Bencini, Alessandro ^a   Bill, Eckhard ^b   Scozzafava, Andrea ^a   Totti, Federico ^a  

^a UNIVERSITY OF FLORENCE   (Italy)

^b MAX PLANCK INSTITUTE FOR CHEMICAL ENERGY CONVERSION   (Germany)

Author keywords

Catechol; Density functional calculations; Iridium reaction mechanisms; Reactivity

Indexed keywords

CATALYST ACTIVITY; COMPLEXATION; ENZYMES; OXIDATION; PROBABILITY DENSITY FUNCTION; THERMODYNAMICS;

CATECHOL;

OXYGEN;

CATECHOL; IRIDIUM COMPLEX; OXYGEN;

ARTICLE; CALCULATION; CATALYSIS; CHEMICAL REACTION; CHEMICAL STRUCTURE; ENZYME ACTIVE SITE; GEOMETRY; MOLECULAR INTERACTION; OXIDATION; THERMODYNAMICS;

CATECHOLS; MOLECULAR STRUCTURE; OXIDATION-REDUCTION; OXYGEN; THERMODYNAMICS;

EID: 0041370224     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200304710     Document Type: Article

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