Synthesis, crystal structure and optical properties of Anderson-type heteropolyanion with cobalt cations

Abstract

A sample inorganic A-type Anderson polyoxometalate (POM) (TeMo6) compound formulated as [Co(H2O)6]3[TeMo6O24] is synthesized in aqueous solution by slow evaporation technique. Single-crystal X-ray diffraction analysis reveals that the obtained compound crystallizes in the centrosymmetric hexagonal space group (R-3c) with a formula unit made up of one [TeMo6O24]6− A-type Anderson anion and three [Co(H2O)3]2+ cations. The molecular Hirshfeld surface indicates that the crystal packing is stabilized by H-bonds interactions to generate 3D supramolecular frameworks. Furthermore, some optical properties such as bandgap energy, refractive index, dielectric constant and optical conductivity of the sample are investigated. The large value of refractive index known in the visible region of electromagnetic spectrum (n = 3.5 at 1.8 eV) reveals that this sample can become a promising candidate for visible optical communication devices. The emission fluorescent spectrum in the solid state at room temperature is measured and the decay lifetime curves are obtained by monitoring the ligand-to-metal charge transfer transition (LMCT). The studies of the colorimetric properties of the sample reveal that the color coordinates (x = 0.33667; y = 0.25564) are located in the region of National Television System Committee (NTSC) in the CIE chromaticity chart and the calculated correlated color temperature value (CCT ~ 5085 K) indicates that the optimized compound could be applied as a cool light emission diode.