Abstract
Unusual cleavage of P−C and C−H bonds of the P2N2ligand, 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 language | English |
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Pages (from-to) | 9493-9497 |
Number of pages | 5 |
Journal | Chemistry - A European Journal |
Volume | 22 |
Issue number | 28 |
DOIs | |
Publication status | Published - Jul 4 2016 |
Keywords
- C−H bond cleavage
- P−C bond cleavage
- density functional calculations
- nickel
- phosphines
ASJC Scopus subject areas
- Catalysis
- Organic Chemistry