Synthesis, crystal structure and spectroscopic properties of ethanol solvated α-Keggin heteropolymolybdate

Abstract

In this study, the ethanol solvated α-Keggin heteropolymolybdate (A) was prepared and characterized by the spectroscopic methods such as single-crystal X-ray diffraction, Uv–vis, FT-IR and photoluminescence methods. Thermal analysis of the compound (A) was performed in the 20–1000 °C range in the N2 atmosphere and electrochemical studies were carried out in the 100–1000 mV/s scan rate range. The ethanol solvated α-Keggin compound exhibits three irreversible anodic and cathodic peak potentials. The structure of the Keggin type polyoxometalate compound was solved in trigonal unit cell and R-3 space group with Rfinal value of 0.0507. The structure of the compound contains H4[SiMo12O40] molecule and three ethanol solvates. The Hirshfeld surface for H4[SiMo12O40]·3EtOH was obtained to determine the interaction sites within the crystal structure. A cyclic hydrogen bond pattern was shown by a large number of fused spots in the fingerprint plot and these hydrogen bond contacts link the other symmetry-related molecules forming a 3D hydrogen bond networks. Hydrogen bond interactions resulted in the formation of honey comb structure.