Incorporating a Transition Metal Complex into Polymeric Iodoplumbate: Structure Characterization, Properties and Theoretical Study of a Unprecedented Hybrid Semiconductor: {[Cu(en)2][Pb2I6]}n

A hybrid semiconductor {[Cu(en)2][Pb2I6]}n (1) (en = ethylenediamine) templated by a transition metal complex was synthesized and structurally characterized. The title compound consists of discrete structure-directing molecules (transition metal complex) and an inorganic iodoplumbate polymer. The iodoplumbate polymer could be described as a three-dimensional network constructed from a [Pb2I8]n4– double chain bridged by iodine. [Cu(en)2]2+ structure-directing cations are discrete, and interact with the inorganic moiety by strong static attraction and the H-bond of N–H···I to give a so-called hybrid structure. Experimental and theoretical optical property investigations indicate that 1 possesses semiconductor properties. A density functional theory calculation was executed to probe the regulation effect on the introduction of a second metal.