Density functional description of the early stages of the dioxygenation of [(MeC(CH2PPh2)3)M(catecholate)]+ complexes [M = Co(III), Ir(III)]: Toward a rationalization of the catalytic mechanism of ring-opening dioxygenases

Inorganic Chemistry

Volumn 39, Issue 7, 2000, Pages 1418-1425

  Bencini, Alessandro ^a   Bill, Eckhard ^b   Mariotti, Fabio ^c   Totti, Federico ^a   Scozzafava, Andrea ^a   Vargas, Angelo ^d  

^a UNIVERSITY OF FLORENCE   (Italy)

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

^c UNIVERSITY OF FRIBOURG   (Switzerland)

^d ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

COBALT; IRIDIUM; OXYGENASE; CATECHOL DERIVATIVE; ORGANOMETALLIC COMPOUND; OXYGEN;

ARTICLE; CATALYSIS; COMPLEX FORMATION; DENSITY; ENZYME ACTIVE SITE; OXYGENATION; REACTION ANALYSIS; X RAY DIFFRACTION; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; CYCLIZATION;

CATALYSIS; CATECHOLS; COBALT; CYCLIZATION; IRIDIUM; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; ORGANOMETALLIC COMPOUNDS; OXYGEN; OXYGENASES;

EID: 0034599291     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic990633i     Document Type: Article

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