A noncovalent interaction insight onto the concerted metallation deprotonation mechanism-Reference-Cited by-同舟云学术

A noncovalent interaction insight onto the concerted metallation deprotonation mechanism

Published:2019 Issue:36 Volume:21 Page:20486-20498
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Cornaton Yann¹²³⁴⁵^ORCID,Djukic Jean-Pierre⁴⁵⁶³^ORCID

Affiliation:

1. Laboratoire de Mathématiques et de Physique

2. F-66860 Perpignan

3. France

4. Institut de Chimie de Strasbourg

5. UMR 7177

6. F-67000 Strasbourg

Abstract

The CMD/AMLA mechanisms of cyclopalladation and the parent fictitious cyclonickelation of N,N-dimethylbenzylamine have been investigated by joint DFT-D and DLPNO-CCSD(T) methods assisted by QTAIM.

Funder

Agence Nationale de la Recherche

Université de Strasbourg

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/C9CP03650D

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