Mechanism Insights of Ethane C–H Bond Activations by Bare [FeIII═O]+: Explicit Electronic Structure Analysis-Reference-Cited by-同舟云学术

Mechanism Insights of Ethane C–H Bond Activations by Bare [FeIII═O]+: Explicit Electronic Structure Analysis

Published:2012-01-30 Issue:5 Volume:116 Page:1475-1485
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Sun Xiao-Li¹,Huang Xu-Ri¹,Li Ji-Lai¹²,Huo Rui-Ping¹,Sun Chia-Chung¹

Affiliation:

1. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, People’s Republic of China

2. Department of Theoretical Chemistry, Lund University, Chemical Centre, P.O. Box 124, SE-221 00 Lund, Sweden

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp2120302

Reference118 articles.

1. A Model “Rebound” Mechanism of Hydroxylation by Cytochrome P450: Stepwise and Effectively Concerted Pathways, and Their Reactivity Patterns

2. Hydrocarbon Hydroxylation by Cytochrome P450 Enzymes

3. A Theoretical Study on the Mechanism of Camphor Hydroxylation by Compound I of Cytochrome P450

4. P450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations

5. CH bond activation in heme proteins: the role of thiolate ligation in cytochrome P450

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