SC-XRD, synthesis of new Heteroleptic [Cu(phen)2N∩N].2ClO4 complexes: Jahn-Teller elongated, physicochemical, thermal, and Catecholase properties

This research concentrated on the preparation and identification of a new dicationic water-soluble Heteroleptic [Cu(phen)2N∩N].2ClO4 complexes in high yields (86–92%), wherein N∩N chelated diamine co-ligands and phen denote 1,10-phenanthroline ligands, are derived from [Cu(phen)3].2ClO4 starting complex. The elemental analyses, SEM, UV-Vis, LC-MS, FT-IR, EDX, and thermogravimetric analysis/differential thermogravimetry were utilized to characterize the produced complexes at a molecular level. The SC-XRD structural investigation of [Cu(phen)3].2ClO4 exhibited a Jahn-Teller distorted octahedral geometry characterized by extended the axial Cu-N bonds. The packing of XDR crystals enabled the establishment sort of O….H-C non-classical H-bonds, leading to the development of one- and two-dimensional synthon interactions. Where the ClO4 anion played a fundamental role in the internal bonding within the crystal through the formation of a S6-synthon or the formation of a bi and tri bridge connecting complexes together. Hirshfeld Surface Analysis (HSA) simulation has been employed to assess the non-classical C-H...Operchlorate H-bond interactions within the crystal lattice. Ultimately, the [Cu(phen)3].2ClO4 and Heteroleptic [Cu(phen)2N∩N].2ClO4 complexes exhibited significant catecholase of 3,5-di-tert-butyl catechol (DTBC) under open O2-RT conditions. The Michaelis–Menten relation was employed for the oxidation process to evaluate and ascertain the kinetic parameters of the targeted complexes.