Tunnelling assisted hydrogen elimination mechanisms of FeCl3/TEMPO-Reference-Cited by-同舟云学术

Tunnelling assisted hydrogen elimination mechanisms of FeCl3/TEMPO

Published:2022 Issue:4 Volume:58 Page:565-568
ISSN:1359-7345
Container-title:Chemical Communications
language:en
Short-container-title:Chem. Commun.

Author:

Li Shi-Jun¹²^ORCID,Fang Wei³⁴^ORCID,Richardson Jeremy O.³^ORCID,Fang De-Cai¹^ORCID

Affiliation:

1. College of Chemistry, Beijing Normal University, Beijing 100875, P. R. China

2. Green Catalysis Center, and College of Chemistry, Zhengzhou University, 100 Science Avenue, Zhengzhou, Henan, 450001, P. R. China

3. Laboratory for Physical Chemistry, ETH Zurich, Zurich 8093, Switzerland

4. State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, P. R. China

Abstract

We investigated reaction mechanisms of Fe–TEMPO and demonstrated the need to incorporate quantum tunnelling in accurate modelling of hydrogen abstraction reactions.

Funder

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CC/D1CC06035J

Reference40 articles.

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