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Synthesis and Electronic Properties of a Pentafluoroethyl-Derivatized Nickel Pincer Complex

Synthesis and Electronic Properties of a Pentafluoroethyl-Derivatized Nickel Pincer Complex

Venkata N Madhira, Peng Ren, Oleg Vechorkin, Xile Hu, David A Vicic

Dalton Trans. 2012 Jul 14;41(26):7915-9.

PMID: 22466876

Abstract:

The synthesis of a bis(amino)amide nickel pincer complex bearing a perfluoroethyl ligand was effected by reaction of the corresponding nickel chloride complex with cesium fluoride and trimethyl(pentafluoroethyl)silane. Electrochemical experiments revealed that the oxidation of the LNi-C(2)F(5) complex occurs at the same potential as the LNi-Cl derivative, but reduction of the LNi-C(2)F(5) complex occurs at slightly more positive potentials. The similarity of the electrochemical data was corroborated by density functional theory (DFT), which predicts that the energies of the HOMOs (HOMO = highest occupied molecular orbital) and LUMOs (LUMO = lowest unoccupied molecular orbital) of the LNi-C(2)F(5) and LNi-Cl complexes are equal in magnitude. DFT also revealed that the HOMOs of the bis(amino)amide nickel pincer complexes are primarily ligand in character, while the LUMOs are predominantly metal in character, supporting redox-activity with this ligand.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP124898131	Trimethylpentafluoroethylsilane		124898-13-1	Price

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