Synthesis and characterisation of chelated cationic ReI(CO)3bis(NHC)(WCA) complexes.

Twelve novel Re(I) acetonitrile complexes of the type [Re(CO)3(L)(MeCN)][WCA], with L being a chelating bis(NHC) ligand with alkylene-bridged and N-substituted bis(imidazolineylidene) moieties, and WCA (WCA = weakly coordinating anion) representing PF6(-) and [Al(OC(CF3)3)4](-), have been synthesized. 1D and 2D NMR spectroscopy as well as IR spectroscopy, elemental analysis and X-ray crystallography have been applied in characterization. The propylene-bridged complex, displaying mesitylene groups R, is discussed in depth revealing interesting chemical behaviour both in solid state and in solution. DFT calculations were undertaken to better understand the properties of such compounds. In addition, the X-ray molecular structure of the first rhenium CCC pincer complex is reported.