DFT mechanistic studies on the epoxidation of cyclohexene by non-heme tetraaza manganese complexes

Canadian Journal of Chemistry

Volumn 87, Issue 1 SPEC. ISS., 2009, Pages 33-38

  Haras, Alicja ^a   Ziegler, Tom ^a  

^a UNIVERSITY OF CALGARY   (Canada)

Author keywords

Density functional theory; Epoxidation; Peracid; Permanganic acid

Indexed keywords

ACTIVE COMPLEXES; CYCLOHEXENE; DENSITY-FUNCTIONAL CALCULATIONS; DIRECT TRANSFER; ENERGY LANDSCAPE; HEXADECANE; HOMOLYTIC DECOMPOSITION; HYDROPEROXO COMPLEX; INTERACTION MODES; LOW-YIELD; MANGANESE COMPLEXES; MECHANISTIC STUDIES; O-H BOND; OLEFIN EPOXIDATION; OXO SPECIES; OXYDATION; PERACID; PERMANGANIC ACID; PROTONATED; TETRAVALENT METALS;

INORGANIC ACIDS; MANGANESE; MANGANESE COMPOUNDS; OLEFINS; OXYGEN; PARAFFINS; PORPHYRINS;

DENSITY FUNCTIONAL THEORY;

EID: 67650901548     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/V08-065     Document Type: Article

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