Is [FeO]2+ the Active Center Also in Iron Containing Zeolites? A Density Functional Theory Study of Methane Hydroxylation Catalysis by Fe-ZSM-5 Zeolite-Reference-Cited by-同舟云学术

Is [FeO]2+ the Active Center Also in Iron Containing Zeolites? A Density Functional Theory Study of Methane Hydroxylation Catalysis by Fe-ZSM-5 Zeolite

Published:2010-03-21 Issue:8 Volume:49 Page:3866-3880
ISSN:0020-1669
Container-title:Inorganic Chemistry
language:en
Short-container-title:Inorg. Chem.

Author:

Rosa Angela¹,Ricciardi Giampaolo¹,Baerends Evert Jan²³

Affiliation:

1. Dipartimento di Chimica, Università della Basilica, Via N. Sauro 85, 85100 Potenza, Italy

2. Dep. of Chemistry, Pohang Univ. of Science and Technology, Pohang 790-784, South-Korea

3. Theoretische Chemie, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ic1000073

Reference89 articles.

1. Mechanism of Oxidation Reactions Catalyzed by Cytochrome P450 Enzymes

2. Quantum Mechanical/Molecular Mechanical Investigation of the Mechanism of C−H Hydroxylation of Camphor by Cytochrome P450cam: Theory Supports a Two-State Rebound Mechanism

3. The First Direct Characterization of a High-Valent Iron Intermediate in the Reaction of an α-Ketoglutarate-Dependent Dioxygenase: A High-Spin Fe(IV) Complex in Taurine/α-Ketoglutarate Dioxygenase (TauD) from Escherichia coli

4. Direct spectroscopic detection of a C-H-cleaving high-spin Fe(IV) complex in a prolyl-4-hydroxylase

5. Multicopper Oxidases and Oxygenases

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