Issue 17, 2011
From the journal:

Chemical Communications

What makes for a good catalytic cycle? A theoretical study of the SPhosligand in the Suzuki–Miyaura reaction†

Sebastian Kozuch*a  and  Jan M. L. Martinb  

* Corresponding authors

a Department of Organic Chemistry, Weizmann Institute of Science, IL-76100 Rechovot, Israel
E-mail: sebastian.kozuch@weizmann.ac.il

b Department of Chemistry and the Center for Advanced Scientific Computing and Modeling (CASCAM), University of North Texas, Denton, TX 76203-5017, USA
E-mail: gershom@unt.edu

Abstract

The Suzuki–Miyaura cross-coupling reaction with the SPhos ligand was studied with DFT and analyzed within the energetic span model. With this information, we designed a modification to the SPhos (the “InPhos”), which theoretically corrects the deficiencies of the prior ligand.

Graphical abstract: What makes for a good catalytic cycle? A theoretical study of the SPhos ligand in the Suzuki–Miyaura reaction

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Article information

DOI
https://doi.org/10.1039/C1CC10717H
Article type
Communication
Submitted
06 Feb 2011
Accepted
12 Mar 2011
First published
25 Mar 2011

Chem. Commun., 2011,47, 4935-4937

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What makes for a good catalytic cycle? A theoretical study of the SPhos ligand in the Suzuki–Miyaura reaction

S. Kozuch and J. M. L. Martin, Chem. Commun., 2011, 47, 4935 DOI: 10.1039/C1CC10717H

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