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AuthorHema, M.K.
AuthorKarthik, C. S.
AuthorLokanath, N. K.
AuthorMallu, P.
AuthorZarrouk, Abdelkader
AuthorSalih, Kifah S.M.
AuthorWarad, Ismail
Available date2022-01-25T07:59:18Z
Publication Date2020-10-01
Publication NameJournal of Molecular Liquids
Identifierhttp://dx.doi.org/10.1016/j.molliq.2020.113756
CitationM.K. Hema, C.S. Karthik, N.K. Lokanath, P. Mallu, Abdelkader Zarrouk, Kifah S.M. Salih, Ismail Warad, 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, Journal of Molecular Liquids, Volume 315, 2020, 113756, ISSN 0167-7322, https://doi.org/10.1016/j.molliq.2020.113756.
ISSN01677322
URIhttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85087775943&origin=inward
URIhttp://hdl.handle.net/10576/25925
AbstractUnder 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.
Languageen
PublisherElsevier
SubjectDFT
Ni(II) cluster
NiO
Tetranuclear
Thermolysis
XRD
TitleSynthesis 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
TypeArticle
Volume Number315
dc.accessType Abstract Only


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