Understanding the differences between iron and palladium in cross-coupling reactions-Reference-Cited by-同舟云学术

Understanding the differences between iron and palladium in cross-coupling reactions

Published:2019 Issue:19 Volume:21 Page:9651-9664
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sun Xiaobo¹^ORCID,J. Rocha Marcus V.¹²^ORCID,Hamlin Trevor A.¹^ORCID,Poater Jordi³⁴^ORCID,Bickelhaupt F. Matthias¹⁵^ORCID

Affiliation:

1. Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling (ACMM), VU University Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands

2. Institute of Chemistry – Departament of Physical Chemistry, Fluminense Federal University, Outeiro De São João Baptista, 24020-141 Niteroi, Rio de Janeiro, Brazil

3. ICREA, Pg. Lluís Companys 23, 08010 Barcelona, Spain

4. Departament de Química Inorgànica i Orgànica & IQTCUB, Universitat de Barcelona, 08028, Barcelona, Catalonia, Spain

5. Institute for Molecules and Materials (IMM), Radboud University Nijmegen, Heyendaalseweg 135, 6525 AJ Nijmegen, The Netherlands

Abstract

We aim at developing design principles, based on quantum chemical analyses, for a novel type of iron-based catalysts that mimic the behavior of their well-known palladium analogs in the bond activation step of cross coupling reactions.

Funder

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Ministerio de Economía y Competitividad

China Scholarship Council

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Generalitat de Catalunya

Ministério da Educação

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/C8CP07671E

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