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

Under liquid-state vibration ultrasonic mode, the Ni-4(O boolean AND O)(4)(OCH3)(4)(OOH)(4) complex [O boolean AND O-bidentate ligand = 4,4,4-trifluoro- 1 -phenylbutane-1.3-d ione] was synthesized from metal precursor and ligand in 10% H2O2/MeOH media, as a novel [Ni-4(mu(3)-O)(4)]atbane duster. The XRD-structure of the desired duster was unraveled that each Ni (II) metal center possesses a distorted octahedral geometry. Monitored thermal treatment to the tetranudear 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. (C) 2020 Published by Elsevier B.V.