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

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.

publication date

  • January 1, 2011