Synthesis and Characterization of a V-Shaped Heteroleptic Hg(II) Complex with Enhanced Conductivity

Abstract

In this article, we report the synthesis of the first example of V-shaped unique structure of complex {[Hg(nvp)₂(NCS)(Cl)][Hg(nvp)₂(NCS)₂]} (1; 4-nvp = 4-(1-naphthylvinyl)pyridine and SCN⁻ = thiocyanate) containing two heteroleptic monometallic Hg(II) based units. The complex 1 undergoes a variety of conventional and unconventional supramolecular interactions, such as hydrogen bonding, chalcogen⋯π, halogen⋯π, π⋯π and chalcogen⋯halogen interactions to generate higher dimensional architecture. These supramolecular assemblies, along with the presence of d¹⁰ metal ion Hg(II) promote large charge transportation and make the material to behave as a semiconductor as well as Schottky diode. The complex shows high conductivity (1.73 × 10⁻³ S/m), maintaining a 1.54 ideality factor. This allows quick response times with low noise, enhancing signal clarity and efficiency in electronic devices, making it ideal for high-speed photodetectors. The semiconducting behavior is also realized by density functional theory (DFT) computed band gap study.