Expansion of the Ligand Knowledge Base for Chelating P,P-Donor Ligands (LKB-PP)
Jesús Jover, Natalie Fey, Jeremy Noel Harvey, Guy C. Lloyd‐Jones, A. Guy. Orpen, Gareth J. J. Owen‐Smith, Paul M. Murray, David R. J. Hose, Robert B. Osborne, Mark Purdie · Organometallics · 2012
High Resolution Image Download MS PowerPoint Slide We have expanded the ligand knowledge base for bidentate P,P- and P,N-donor ligands (LKB-PP, Organometallics 2008, 27, 1372–1383) by 208 ligands and introduced an additional steric descriptor (nHe 8 ). This expanded knowledge base now captures information on 334 bidentate ligands and has been processed with principal component analysis (PCA) of the descriptors to produce a detailed map of bidentate ligand space, which better captures ligand variation and has been used for the analysis of ligand properties.