A combined BET and IQA–REG study of the activation energy of non-polar zw-type [3+2] cycloaddition reactions-Reference-Cited by-同舟云学术

A combined BET and IQA–REG study of the activation energy of non-polar zw-type [3+2] cycloaddition reactions

Published:2023 Issue:15 Volume:25 Page:10853-10865
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ríos-Gutiérrez Mar¹^ORCID,Falcioni Fabio²^ORCID,Domingo Luis R.¹^ORCID,Popelier Paul L. A.²^ORCID

Affiliation:

1. Department of Organic Chemistry, University of Valencia, Dr Moliner 50, 46100 Burjassot, Valencia, Spain

2. Department of Chemistry, University of Manchester, Oxford Road, Manchester, M13 9PL, UK

Abstract

IQA–REG indicates that the high energy cost of the zw-type 32CA reaction between the simplest nitrone and ethylene is associated with the rupture of the ethylene C4C5 double bond. Energies are given in kcal mol−1.

Funder

H2020 Marie Skłodowska-Curie Actions

AstraZeneca

Ministerio de Ciencia e Innovación

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP00329A

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