Evaluating the crystalline orbital hierarchy and high pressure structure property response of an extended-ligand platinum(II) bis(1,2 dioximato) complex

Herein the solid state structure and crystalline orbital hierachry of a new extended-ligand platinum (II) bis(1,2 dioximato) complex is evaluated. The lack of direct stacking of Pt centres in the solid state, caused by the steric bulk on the exterior of the ligand, results in highly localised frontier bands, and thus minimal band gap compression upon the application of pressure. This is in contrast to its parent complex Pt(bqd)2 which undergoes a semiconductor-to-metal transition by 1 GPa.