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Synthesis, X-Ray Structure, Hirshfeld Surface Analysis, DFT Calculations, and Molecular Docking Studies of Nickel(II) Complex with Thiosemicarbazone Derivative

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Published in 2021 at "Bioinorganic Chemistry and Applications"

DOI: 10.1155/2021/5536902

Abstract: This article presents both experimental and computational study of a new Ni(II) complex, namely, bis{2-(2-trifluoromethylbenzylidene)hydrazine-1-carbothioamido-κ2N2, S}nickel(II) (abbreviate as NiL2). The complex was synthesized and well characterized using various spectroscopic methods. The single X-ray crystallographic study… read more here.

Keywords: hirshfeld surface; dft; synthesis ray; ray structure ... See more keywords