What defines electrophilicity in carbonyl compounds-Reference-Cited by-同舟云学术

What defines electrophilicity in carbonyl compounds

Published:2024 Issue:11 Volume:15 Page:3980-3987
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Bickelhaupt F. Matthias¹²³^ORCID,Fernández Israel⁴^ORCID

Affiliation:

1. Department of Chemistry and Pharmaceutical Sciences, AIMMS, Vrije Universiteit Amsterdam, The Netherlands

2. Institute for Molecules and Materials (IMM), Radboud University, Nijmegen, The Netherlands

3. Department of Chemical Sciences, University of Johannesburg, South Africa

4. Departamento de Química Orgánica, Centro de Innovación en Química Avanzada (ORFEO-CINQA), Facultad de Ciencias Químicas, Universidad Complutense de Madrid Ciudad Universitaria, 28040-Madrid, Spain

Abstract

The origin of the electrophilicity of a series of cyclohexanones and benzaldehydes is investigated using the activation strain model and quantitative Kohn–Sham molecular orbital (MO) theory.

Funder

Ministerio de Ciencia e Innovación

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/SC/D3SC05595G

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