om7b00847_si_002.xyz (4.23 kB)
Synthesis and Characterization of Heteroleptic Ni(II) Bipyridine Complexes Bearing Bis(N-heterocyclic carbene) Ligands
dataset
posted on 2018-01-16, 20:37 authored by Mark H. Reineke, Tyler M. Porter, Andrew L. Ostericher, Clifford P. KubiakThe synthesis and
characterization of four new Ni(II) bis(NHC)
bipy complexes (bipy = 4, 4′-bipyridine, NHC = N-heterocyclic
carbene) are reported. These represent the first examples of the NiII(NHC2) L2 class of compounds, where
L is a two-electron-donor ligand. The introduction of a double propyl
bridged bis-NHC ligand (CProp2C) imparts reversibility
to the electrochemistry of these complexes. The electrochemical response
includes two reductions, the first believed to be bipy ligand based,
bipy0/–, and the second metal based. The unusual
ligand arrangements in these complexes result in electronic structures
in which both the HOMOs and LUMOs are ligand-based, as determined
by DFT analysis of all four compounds.