A Single-component Molecular Conductor with Metal–Metal Bonding, [Pd(hfdt)2] (hfdt: bis(trifluoromethyl)tetrathiafulvalenedithiolate)

A new single-component palladium complex, [Pd(hfdt)2] (hfdt: bis(trifluoromethyl)tetrathiafulvalenedithiolate), was prepared. Single-crystal structure analysis showed that [Pd(hfdt)2] is a rare case of single-component molecular conductor possessing metal–metal bonding. The observed non-magnetic susceptibility behavior of [Pd(hfdt)2] originates from its dimeric structure. The semiconducting behavior of [Pd(hfdt)2] is consistent with the result of the density functional theory (DFT) band structure calculations.