pi Interactions in Supramolecular Architecture of 1D Coordination Polymers and Their Electrical Conductance

摘要

abstract_textpTwo isotypical Cd(II) based one-dimensional coordination polymers (1D CPs) Cd-2(p-clba)(4)(bpy)(2)/pp./pp(C2H5OH) (1) and Cd-2(p-brba)(4)(bpy)(2)/pp./pp(C2H5OH), (2) (H(2)p-clba=para-chlorobenzoic acid, H(2)p-brba=para-bromobenzoic acid and bpy=4,4 '-bipyridine) have been synthesized and characterized by X-ray structure analysis. In the solid-state strcuture, both the compounds undergo X/pp.../pp(X=Cl or Br) interactions to generate two-dimensional (2D) supramolecular architectures. Here, due to the larger size and more polarisability of Br atom, Br/pp.../ppinteraction is stronger than Cl/pp.../pp, which is accounted for the stronger interchain interactions in 2 as compared to 1. This is depicted in the observed electrical conductivity of the compounds. The compound 2 with stronger interchain interactions shows better charge transport and hence, increasing conductivity. Moreover, band gap of the CPs has been obtained by DFT computation, which also supports the progression of conductivity./p/abstract_text