Alkane Hydroxylation by Peroxy Acids: A Comparison with the Cytochrome P450 Hydroxylation

A.R. Groenhof, A.W. Ehlers, K. Lammertsma

Research output: Contribution to JournalArticleAcademicpeer-review

Abstract

Alkane hydroxylation by peroxy acids proceeds by a synchronous nonconcerted peroxy oxygen insertion into the C-H bond according to density functional theory. A comparable reaction sequence, initiated by homolytic peroxy bond cleavage, can be formulated for the alkane hydroxylation by the cytochrome P450 hydroperoxoheme Compound 0. This hydroxylation reaction proceeds by a two-step process because the formed reactive intermediate, Compound II, is significantly stabilized. © 2008 American Chemical Society.
Original languageEnglish
JournalJournal of Physical Chemistry A
DOIs
Publication statusPublished - 2008

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