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 journalArticlepeer-review

39 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 languageEnglish
Pages (from-to)4935-4937
Number of pages3
JournalChemical Communications
Volume47
Issue number17
DOIs
StatePublished - 7 May 2011
Externally publishedYes

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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