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Ion-pairs as a gateway to transmetalation: aryl transfer from boron to nickel and magnesium.

Kimberly C FabijanczukWeam A O AltalhiAsma M O AldajaniAlison J CantyScott A McLuckeyRichard A J O'Hair
Published in: Dalton transactions (Cambridge, England : 2003) (2022)
Gas-phase ion-ion reactions between tris-1,10-phenantholine metal dications, [(phen) 3 M] 2+ (where M = Ni and Mg), and the tetraphenylborate anion yield the ion-pairs {[(phen) 3 M] 2+ [BPh 4 ] - } + . The ion-pairs undergo transmetalation upon loss of a phen ligand to give the organometallic complexes [(phen) 2 M(Ph)] + . DFT calculations, used to determine the energy barriers for the transmetalation reactions and the hydrolysis reactions, are entirely consistent with the experimental results.
Keyphrases
  • density functional theory
  • molecular dynamics
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