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Expansion of the Ligand Knowledge Base for Chelating P,P-Donor Ligands (LKB-PP)
Jesús Jover1, Natalie Fey1, Jeremy N Harvey1
1School of Chemistry, University of Bristol , Cantock's Close, Bristol BS8 1TS, U.K.
Abstract:
We have expanded the ligand knowledge base for bidentate P,P- and P,N-donor ligands (LKB-PP, Organometallics2008, 31, 1372-1383) by 208 ligands and introduced an additional steric descriptor (nHe8). 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.
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