Facile P−C/C−H Bond-Cleavage Reactivity of Nickel Bis(diphosphine) Complexes

Shaoguang Zhang, Haixia Li, Aaron Appel, Michael B. Hall, R Morris Bullock

Research output: Contribution to journalArticle


Unusual cleavage of P−C and C−H bonds of the P2N2 ligand, in heteroleptic [Ni(P2N2)(diphosphine)]2+ complexes under mild conditions, results in the formation of an iminium formyl nickelate featuring a C,P,P-tridentate coordination mode. The structures of both the heteroleptic [Ni(P2N2)(diphosphine)]2+ complexes and the resulting iminium formyl nickelate have been characterized by NMR spectroscopy and single-crystal X-ray diffraction analysis. Density functional theory (DFT) calculations were employed to investigate the mechanism of the P−C/C−H bond cleavage, which involves C−H bond cleavage, hydride rotation, Ni−C/P−H bond formation, and P−C bond cleavage.

Original languageEnglish
Pages (from-to)9493-9497
Number of pages5
JournalChemistry - A European Journal
Issue number28
Publication statusPublished - Jul 4 2016


  • C−H bond cleavage
  • density functional calculations
  • nickel
  • phosphines
  • P−C bond cleavage

ASJC Scopus subject areas

  • Chemistry(all)

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