Synthesis of novel Cubane [Ni4(O∩O)4(OCH3)4(OOH)4] cluster: XRD/HSA-interactions, spectral, DNA-binding, docking and subsequent thermolysis to NiO nanocrystals

Abstract

Under liquid-state vibration ultrasonic mode, the Ni4(O∩O)4(OCH3)4(OOH)4 complex [O∩O-bidentate ligand = 4,4,4-trifluoro-1-phenylbutane-1,3-dione] was synthesized from metal precursor and ligand in 10% H2O2/MeOH media, as a novel [Ni4(μ3-O)4] cubane cluster. The XRD-structure of the desired cluster was unraveled that each Ni(II) metal center possesses a distorted octahedral geometry. Monitored thermal treatment to the tetranuclear metal cluster in an open atmosphere afforded nanocrystalline rod-shaped nickel oxide. Moreover, CHN-EA, FT-IR, conductivity measurement, UV–Vis., EDX, SEM, TG/DTA, and PXRD have confirmed the structure of the new cluster and NiO nanocrystals. The XRD-lattice interactions were explored to evaluate their role via computational Hirshfeld surface analysis. The molecular docking of the cluster with SS-DNA was estimated and demonstrated.