Computational analysis of R–X oxidative addition to Pd nanoparticles-Reference-Cited by-同舟云学术

Computational analysis of R–X oxidative addition to Pd nanoparticles

Published:2024 Issue:26 Volume:15 Page:9977-9986
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Polynski Mikhail V.¹^ORCID,Vlasova Yulia S.²³^ORCID,Solovev Yaroslav V.⁴^ORCID,Kozlov Sergey M.¹^ORCID,Ananikov Valentine P.²³^ORCID

Affiliation:

1. Department of Chemical and Biomolecular Engineering, National University of Singapore, 4 Engineering Drive 4, Singapore 117585, Singapore

2. Faculty of Chemistry, Moscow State University, Leninskiye Gory 1-3, Moscow 119991, Russia

3. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Leninsky Prospect 47, Moscow 119991, Russia

4. M. M. Shemyakin and Yu. A. Ovchinnikov Institute of Bioorganic Chemistry of the Russian Academy of Sciences, Miklukho-Maklaya 16/10, Moscow 117997, Russia

Abstract

A computational elucidation of the mechanism of R–X oxidative addition to Pd nanoparticles revealed high activity at the edges of nanoparticles and identified key intermediates before and after oxidative addition.

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/SC/D4SC00628C

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