Theoretical study of the mechanism of alkane hydroxylation and ethylene epoxidation reactions catalyzed by diiron bis-oxo complexes. The effect of substrate molecules

Authors :: Musaev, Djamaladdin G.
Basch, Harold
Morokuma, Keiji
Source :: Journal of the American Chemical Society. April 17, 2002, Vol. 124 Issue 15, p4135, 14 p.
Publication Year :: 2002
Abstract: Research has been conducted on the hydrocarbon oxidation reaction mechanism. The use of the hybrid density functional method in studying the mechanism of this reaction is described.

Subjects :: Chemical research -- Analysis
Alkanes -- Physiological aspects
Hydroxylation -- Physiological aspects
Ethylene -- Physiological aspects
Epoxy compounds -- Physiological aspects
Iron -- Physiological aspects
Coordination compounds -- Physiological aspects
Chemical reactions -- Analysis
Chemistry

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