Origin of asynchronicity in Diels–Alder reactions-Reference-Cited by-同舟云学术

Origin of asynchronicity in Diels–Alder reactions

Published:2021 Issue:36 Volume:23 Page:20095-20106
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Vermeeren Pascal¹^ORCID,Hamlin Trevor A.¹^ORCID,Bickelhaupt F. Matthias¹²^ORCID

Affiliation:

1. Department of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands

2. Institute for Molecules and Materials, Radboud University, Heyendaalseweg 135, 6525 AJ Nijmegen, The Netherlands

Abstract

Quantum chemical activation strain analyses reveal that asynchronicity in Diels–Alder reactions reduces both destabilizing Pauli repulsion as well as stabilizing orbital interactions, and occurs if the former dominates.

Funder

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

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/D1CP02456F

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