Theoretical study of C-arylations with aryl halides to determine the reaction mechanism, the effect of substituents and heteroatoms
Author:
Affiliation:
1. QTC, Facultad de Quimica y de Farmacia
2. Pontificia Universidad Católica de Chile
3. Macul
4. Chile
5. Departamento de Química Orgánica
6. Facultad de Química y de Farmacia
Abstract
A set of Ullman-like reaction mechanisms are reported using DFT wB97XD/6-311D.
Funder
Fondo de Fomento al Desarrollo Científico y Tecnológico
Fondo Nacional de Desarrollo Científico y Tecnológico
Pontificia Universidad Católica de Chile
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP07752E
Reference44 articles.
1. Controlling selectivity in the Ullmann reaction on Cu(111)
2. Copper catalysed Ullmann type chemistry: from mechanistic aspects to modern development
3. Ullmann reaction through ecocatalysis: insights from bioresource and synthetic potential
4. Carbon−Nitrogen Bond Formation Involving Well-Defined Aryl−Copper(III) Complexes
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