Structure and Mechanism for Alkane Oxidation and Alkene Epoxidation with Hydroperoxides, α-Hydroxy Hydroperoxides, and Peroxyacids: A Theoretical Study-Reference-Cited by-同舟云学术

Structure and Mechanism for Alkane Oxidation and Alkene Epoxidation with Hydroperoxides, α-Hydroxy Hydroperoxides, and Peroxyacids: A Theoretical Study

Published:2019-10-14 Issue:44 Volume:123 Page:9520-9530
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Bach Robert D.¹^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry, University of Delaware, 210 South College Avenue, Newark, Delaware 19716, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b06803

Reference29 articles.

1. The “Somersault” Mechanism for the P-450 Hydroxylation of Hydrocarbons. The Intervention of Transient Inverted Metastable Hydroperoxides

2. The Rate-Limiting Step in P450 Hydroxylation of Hydrocarbons A Direct Comparison of the “Somersault” versus the “Consensus” Mechanism Involving Compound I

3. Transient Inverted Metastable Iron Hydroperoxides in Fenton Chemistry. A Nonenzymatic Model for Cytochrome P450 Hydroxylation

4. Role of the Somersault Rearrangement in the Oxidation Step for Flavin Monooxygenases (FMO). A Comparison between FMO and Conventional Xenobiotic Oxidation with Hydroperoxides

5. Mechanism of Kynurenine 3-Monooxygenase-Catalyzed Hydroxylation Reaction: A Quantum Cluster Approach

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