Expansion of the Ligand Knowledge Base for Chelating P,P-Donor Ligands (LKB-PP)
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- 作者：Jes煤s Jover ; Natalie Fey ; Jeremy N. Harvey ; Guy C. Lloyd-Jones ; A. Guy Orpen ; Gareth J. J. Owen-Smith ; Paul Murray ; David R. J. Hose ; Robert Osborne ; Mark Purdie
- 刊名：Organometallics
- 出版年：2012
- 出版时间：August 13, 2012
- 年：2012
- 卷：31
- 期：15
- 页码：5302-5306
- 全文大小：274K
- 年卷期：v.31,no.15(August 13, 2012)
- ISSN：1520-6041
文摘
We have expanded the ligand knowledge base for bidentate P,P- and P,N-donor ligands (LKB-PP, Organometallics 2008, 27, 1372鈥?/span>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.