Mechanistic molecular motion of transition-metal mediated β-hydrogen transfer: quasiclassical trajectories reveal dynamically ballistic, dynamically unrelaxed, two step, and concerted mechanisms-Reference-Cited by-同舟云学术

Mechanistic molecular motion of transition-metal mediated β-hydrogen transfer: quasiclassical trajectories reveal dynamically ballistic, dynamically unrelaxed, two step, and concerted mechanisms

Published:2020 Issue:23 Volume:49 Page:7747-7757
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Wheeler Josh I.¹²³⁴,Carlsen Ryan¹²³⁴,Ess Daniel H.¹²³⁴^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry

2. Brigham Young University

3. Provo

4. USA

Abstract

Quasiclassical direct dynamics reveal new dynamical mechanisms for metal-alkyl to ethylene β-hydrogen transfer.

Funder

National Science Foundation

Brigham Young University

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/DT/D0DT01687J

Reference54 articles.

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3. Theoretical Studies on Reactions of Transition-Metal Complexes

4. Two-electron, three-centre carbon–hydrogen–cobalt bonds in the compounds [Co(η-C5Me4R)(η-C2H4)(η-C2H4-µ-H)] BF4, R = Me and Et

5. Implications of three-center, two-electron M--H--C bonding for related alkyl migration reactions: design and study of an ethylene polymerization catalyst

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