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

Sebastian Kozuch; Jan M.L. Martin

doi:10.1039/c1cc10717h

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

Sebastian Kozuch, Jan M.L. Martin

Research output: Contribution to journal › Article › peer-review

42 Scopus citations

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.

Original language	English
Pages (from-to)	4935-4937
Number of pages	3
Journal	Chemical Communications
Volume	47
Issue number	17
DOIs	https://doi.org/10.1039/c1cc10717h
State	Published - 7 May 2011
Externally published	Yes

ASJC Scopus subject areas

Catalysis
Electronic, Optical and Magnetic Materials
Ceramics and Composites
General Chemistry
Surfaces, Coatings and Films
Metals and Alloys
Materials Chemistry

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10.1039/c1cc10717h

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

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.",

author = "Sebastian Kozuch and Martin, {Jan M.L.}",

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AU - Martin, Jan M.L.

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AB - 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.

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U2 - 10.1039/c1cc10717h

DO - 10.1039/c1cc10717h

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JO - Chemical Communications

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

Abstract

ASJC Scopus subject areas

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