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

[Image: see text] We have expanded the ligand knowledge base for bidentate P,P- and P,N-donor ligands (LKB-PP, Organometallics2008, 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 an...

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Detalles Bibliográficos
Autores principales: Jover, Jesús, Fey, Natalie, Harvey, Jeremy N., Lloyd-Jones, Guy C., Orpen, A. Guy, Owen-Smith, Gareth J. J., Murray, Paul, Hose, David R. J., Osborne, Robert, Purdie, Mark
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2012
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4034078/
https://www.ncbi.nlm.nih.gov/pubmed/24882917
http://dx.doi.org/10.1021/om300312t
Descripción
Sumario:[Image: see text] We have expanded the ligand knowledge base for bidentate P,P- and P,N-donor ligands (LKB-PP, Organometallics2008, 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.

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