Abstract

The crystal structures and photophysical properties of two mononuclear, three-coordinate Cu(I) complexes, (BAC)Cu(py2BMe2) (1) and (BAC)Cu(pybim) (2) bearing non-heterocyclic carbene BAC (BAC = bis(di-isopropylamino)cyclopropenylidene carbene) have been investigated (py2BMe2 = di(2-pyridyl)dimethylborate, pybim = 2-(2-pyridyl)benzimidazolate). X-ray structural analysis of 2 identified four unique molecules with varying degrees of Y- to T-shaped distortion in the asymmetric unit. This finding indicates that the potential energy barrier of this type of distortion is shallow for this derivative. Both 1 and 2 are luminescent and the former complex has a photoluminescence quantum efficiency in the solid state (ΦPL = 0.72) that is comparable to its NHC analogue.

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