Abstract
This work presents a comprehensive exploration of the synthesis and experimental characterization of cis-MoO2(OV)2. The study includes a thorough analysis of the single crystal structure of the complex and also validates the experimental findings and establishes the high purity of the synthesized Mo-complex using Density Functional Theory (DFT). The combined experimental and computational approach enhances the reliability of the results, contributing to a more robust understanding of the synthesized cis-MoO2(OV)2 compound.