Synthesis of novel Cl2Co4L6 clusterusing 1-hydroxymethyl-3,5-dimethylpyrazole (LH) ligand: Crystal structure, spectral, thermal, Hirschfeld surface analysis and catalytic oxidation evaluation

The clusterization reaction of Co(II) with simple (LH) ligand (1-hydroxymethyl-3,5-dimethylpyrazole) leads to an interesting Cl2Co4L6 cluster formation in a good yield. Crystal state XRD-study resulting the formation of an open – cubane – type cluster with two types of Co(II)4 centers. The XRD converted the formation of both octahedral and trigonal bipyramidal geometries around the 4 Co(II) centers of Cl2Co4L6 in the solid state. The clusterization reaction between Co(II) and LH was monitored by FT-IR and supported by TG/DTG. Hirschfeld surface analysis for the desired cluster was performed then compared to the XRD-packing result. The Cl2Co4L6 cluster showed a significant catalytic effect on the catechol oxidation process at RT. [Display omitted] •New open cubane cluster based on Co and pyrazole synthesized.•XDR, IR, Hirschfeld Surface and thermal characterization.•Catecholase oxidation evaluation.