Spin-forbidden heavy-atom tunneling in the ring-closure of triplet cyclopentane-1,3-diyl-Reference-Cited by-同舟云学术

Spin-forbidden heavy-atom tunneling in the ring-closure of triplet cyclopentane-1,3-diyl

Published:2021 Issue:10 Volume:23 Page:5797-5803
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Viegas Luís P.¹²³⁴⁵^ORCID,M. Nunes Cláudio¹²³⁴⁵^ORCID,Fausto Rui¹²³⁴⁵^ORCID

Affiliation:

1. University of Coimbra

2. CQC

3. Department of Chemistry

4. 3004-535 Coimbra

5. Portugal

Abstract

The putative spin-forbidden heavy-atom tunneling process for the ring closure of cyclopentane-1,3-diyl at cryogenic temperatures is confirmed with calculations employing the weak-coupling formulation of nonadiabatic transition state theory.

Funder

European Regional Development Fund

Fundação para a Ciência e a Tecnologia

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP00076D

Reference75 articles.

1. The Early History of Quantum Tunneling

2. The application of quantum mechanics to chemical kinetics

3. Quantum mechanical effects in reactions involving hydrogen

4. Carbon-13 NMR and polarized IR spectra of vicinally labeled cyclobutadiene-13C2 in an argon matrix: interconversion of valence tautomers

5. Tunneling in the C-H insertion of a singlet carbene: tert-butylchlorocarbene

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