Synthesis, covalency parameters, energy calculations and crystal features of acylpyrazolone derived pentavalent Uranyl complex along with DFT and Hirshfeld analysis

Novel acylpyrazolone DMBPMP ligand and its Uranyl acylpyrazolone complex with Pentagonal bipyramidal geometry were synthesized. Their crystal features, non-covalent interactions, theoretical study and global index parameters were examined using various characterization techniques. Crystal strength for ligand was examined by interaction energies and energy frameworks. Covalency and Sinha’s covalency parameters with solvent effect was studied from electronic spectra in Uranyl complex.