Computer‐Generated High‐Valent Iron–Oxo and Manganese–Oxo Species with Polyoxometalate Ligands: How do they Compare with the Iron–Oxo Active Species of Heme Enzymes? | Zendy

de Visser Samuël P. | Zendy; Kumar Devesh | Zendy; Neumann Ronny | Zendy; Shaik Sason | Zendy

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Computer‐Generated High‐Valent Iron–Oxo and Manganese–Oxo Species with Polyoxometalate Ligands: How do they Compare with the Iron–Oxo Active Species of Heme Enzymes?

Author(s) -

de Visser Samuël P.,

Kumar Devesh,

Neumann Ronny,

Shaik Sason

Publication year - 2004

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.200453867

Subject(s) - polyoxometalate , lacunary function , manganese , reactivity (psychology) , ligand (biochemistry) , chemistry , heme , catalysis , enzyme , combinatorial chemistry , biochemistry , organic chemistry , mathematics , receptor , pathology , pure mathematics , medicine , alternative medicine

The structure and reactivity of high‐valent Fe V O and Mn VI O oxidation catalysts containing a polyoxometalate [PW 11 O 39 ] 7− lacunary ligand ( 2 ) have been investigated by a computational study. Calculations have demonstrated there is an intriguing analogy between these species and the active species ( 1 ) of the enzyme cytochrome P450 (see scheme).

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