Synthesis of (TeI₃)₂[W₆I₁₄] via Iodination of WTe₂

Abstract

The new compound (TeI3)2[W6I14] appeared as an unforeseen product from a reaction of WTe2 with iodine at 250 °C, representing an exceptionally low temperature for the formation of an octahedral tungsten iodide cluster. The crystal structure, as refined by single‐crystal X‐ray diffraction, reveals (TeI3)+ ions and the well‐known [W6I14]2– cluster. A chemical analysis confirms the identity of the product. The electronic structure of (TeI3)2[W6I14] is analyzed in view of the relative position of tellurium states by density functional theory (DFT) calculations. This cluster compound exhibits an indirect band gap as confirmed by the band structure calculation based on the HSE06 hybrid functional theory.

Reversible Iodine Intercalation into Tungsten Ditelluride

“…When heated above 200 °C, iodine and TeI4 are released until (TeI3)2[W6I14] is formed at 250 °C. [15] A chemical analysis of WTe2I by inductively coupled plasma optical emission spectrometry (ICP-OES) confirmed the identity of the product with resulting averaged ratios of elements corresponding to W : Te : I = 1 : 1.98 : 0.99.…”

Synthesis, Crystal, and Electronic Structure of (HpipeH2)2[Sb2I10](I2), with I2 Molecules Linking Sb2X10 Dimers into a Polymeric Anion: A Strategy for Optimizing a Hybrid Compound’s Band Gap

“…The range of I•••I2 contacts in bismuth derivatives is even wider, from 3.17 to 3.53 Å [17,20], the former being very short and resembling the longer interatomic distances in various polyiodides [34]. Additionally, they resemble the I•••I distances in cluster iodides and polyiodides of transition metals [36,37]. The HpipiH2 2+ cations link the anionic chains into a 3D array by hydrogen bonds.…”