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

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

Journal article

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

Sebastian Kozuch and Jan M. L. Martin

Chemical Communications, Vol.47(17), pp.4935-4937

2011

DOI: https://doi.org/10.1039/c1cc10717h

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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.

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Title: What makes for a good catalytic cycle? A theoretical study of the SPhos ligand in the Suzuki-Miyaura reaction
Creators: Sebastian Kozuch (null) - The Weizmann Institute of Science
Jan M. L. Martin (null) - The Weizmann Institute of Science
Resource Type: Journal article
Publication Details: Chemical Communications, Vol.47(17), pp.4935-4937; 2011
Number of pages: 3
Language: English
DOI: https://doi.org/10.1039/c1cc10717h
Grant note: NA
Record Identifier: 993267513203596

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