Expansion of the Ligand Knowledge Base for Chelating P,P-Donor Ligands (LKB-PP) | Zendy

Jesús Jover | Zendy; Natalie Fey | Zendy; Jeremy N. Harvey | Zendy; Guy C. LloydJones | Zendy; A.G. Orpen | Zendy; Gareth J. J. OwenSmith | Zendy; Paul M. Murray | Zendy; David R. J. Hose | Zendy; Robert Osborne | Zendy; Mark Purdie | Zendy

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Expansion of the Ligand Knowledge Base for Chelating P,P-Donor Ligands (LKB-PP)

Author(s) -

Jesús Jover,

Natalie Fey,

Jeremy N. Harvey,

Guy C. LloydJones,

A.G. Orpen,

Gareth J. J. OwenSmith,

Paul M. Murray,

David R. J. Hose,

Robert Osborne,

Mark Purdie

Publication year - 2012

Publication title -

organometallics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.231

H-Index - 172

eISSN - 1520-6041

pISSN - 0276-7333

DOI - 10.1021/om300312t

Subject(s) - chemistry , denticity , ligand (biochemistry) , steric effects , base (topology) , chelation , stereochemistry , crystallography , crystal structure , biochemistry , organic chemistry , receptor , mathematics , mathematical analysis

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 (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.

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