Nonradical mechanism for methane hydroxylation by iron-oxo complexes

研究成果: ジャーナルへの寄稿学術誌査読

98 被引用数 (Scopus)

抄録

A nonradical mechanism for methane hydroxylation by the bare FeO + complex, Fe-ZSM-5 zeolite, and soluble methane monooxygenase is proposed from quantum chemical calculations. This mechanism is applicable when a metal-oxo species is coordinatively unsaturated. Direct interaction between methane and a metal active center can form a weakly bound methane complex in the initial stages of this reaction. Subsequent C-H bond cleavage to form an intermediate with an HO-Fe-CH3 moiety in a nonradical manner and recombination of the resultant OH and CH3 ligands take place at a metal active center to form a final methanol complex. Thus, this is a nonradical, two-step reaction. The fact that methyl radical is 10-20 kcal/mol less stable than secondary and tertiary carbon radicals and benzyl radicals leads us to propose this mechanism.

本文言語英語
ページ(範囲)375-382
ページ数8
ジャーナルAccounts of Chemical Research
39
6
DOI
出版ステータス出版済み - 6月 1 2006

!!!All Science Journal Classification (ASJC) codes

  • 化学 (全般)

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