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• W2510178171 endingPage "8047" @default.
• W2510178171 startingPage "8041" @default.
• W2510178171 abstract "Coordination of the reactive phosphinitopyridylphenyl PONCPh ligand LH to NiBr2 initially yields paramagnetic brown NiBr2(LH) (1), but addition of triethylamine results in fast and facile cyclometalation at NiII, giving NiBr(κ3-P,N,C-L) (2) as well-defined species. This is a rare example of direct cyclometalation at NiII from a C–H bond in a ligand structure other than encumbering ligands (e.g., ECE pincers). Diamagnetic yellow complex 2 reacts instantaneously with HBF4 to give purple [NiBr(κ3-P,N-LH)]BF4 (3). A very unusual (an)agostic Ni(CPh–H) interaction in the solid-state structure of 3 was unequivocally demonstrated using single-crystal X-ray crystallography and was interpreted by density functional theory calculations (quantum theory of atoms in molecules and electron localization function analysis). These compounds may be viewed as models for key intermediates in the Ni-catalyzed C–H functionalization of arenes." @default.
• W2510178171 created "2016-09-16" @default.
• W2510178171 creator A5005123295 @default.
• W2510178171 creator A5015653296 @default.
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• W2510178171 creator A5034870482 @default.
• W2510178171 creator A5050122217 @default.
• W2510178171 creator A5090029760 @default.
• W2510178171 date "2016-08-01" @default.
• W2510178171 modified "2023-10-14" @default.
• W2510178171 title "Arene C(sp²)-H Metalation at Ni^II Modeled with a Reactive PONC_Ph Ligand" @default.
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