Theoretical study of cyclohexane hydroxylation by three possible isomers of [FeIV(O)(R-TPEN)]2+: Does the pentadentate ligand wrapping around the metal center differently lead to the different stability and reactivity?

Journal of Biological Inorganic Chemistry

Volumn 14, Issue 4, 2009, Pages 533-545

  Wang, Yi ^a   Wang, Yong ^a   Han, Keli ^a  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

Author keywords

Density functional calculations; Hydroxylation; Non heme

Indexed keywords

CYCLOHEXANE; HYDROGEN; IRON COMPLEX; OXYGEN; PYRIDINE; UNCLASSIFIED DRUG; [FE IV (O) (N N,N',N' TRIS(2 PYRIDYLMETHYL)ETHANE 1,2 DIAMINE)];

ARTICLE; CHEMICAL REACTION; CHEMICAL STRUCTURE; GEOMETRY; HYDROXYLATION; ISOMER; PRIORITY JOURNAL; THEORETICAL STUDY;

EID: 67349160241     PISSN: 09498257     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00775-009-0468-x     Document Type: Article

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