Reversible transformation between Cu(i)-thiophenolate coordination polymers displaying luminescence and electrical properties

Abstract

A one-dimensional [Cu₆I₃(TP)₃(MeCN)₂]_n (1) coordination polymer (CP) has been prepared by the direct reaction between CuI and a thiophenol (TP) ligand. The reversible conversion reaction between 1 and the homoleptic 1D-CP [Cu(TP)]_n (2) is observed in acetonitrile upon controlling the CuI ratio. Interestingly, CPs 1 and 2 are multifunctional materials showing both luminescence and electrical properties. Photoluminescence measurements reveal that 1 and 2 are emissive in the blue and the red regions, respectively. Additionally, both materials show electrical conductivity at room temperature (1.2 × 10⁻⁸ for 1 and 3.7 × 10⁻⁴ S cm⁻¹ for 2) indicating a semiconductor behaviour. DFT calculations have been used to rationalise these observations.