Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone: Synthesis, structural characterization and DFT study

Araškov, Jovana; Ristić, Predrag; Višnjevac, Aleksandar; Milivojac, Andrej; Mitić, Dragana; Filipović, Nenad R.; Todorović, Tamara R. (2023) Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone: Synthesis, structural characterization and DFT study. Journal of the Serbian Chemical Society, 88 (12). pp. 1355-1367. ISSN 0352-5139

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Abstract

An octahedral complex of Zn(II) with a ligand from a class of pyridine- based 1,3-selenazolyl-hydrazones was synthesized and characterized by IR and NMR spectroscopy and single crystal X-ray diffraction analysis. The purity of the complex was confirmed by elemental analysis. Two ligands are coordinated in the neutral NNN-tridentate form forming a complex cation, while the positive charge is neutralized by [ZnCl4]2-. Complex crystallizes in monoclinic C2/c space group with the Zn atoms situated in a special position. The packing features of the novel complex were analyzed using Hirshfeld surfaces, construction of 2D pseudosymmetric plot and DFT quantum mechanical calculations and compared with the previously published sulfur-based isostere. The key difference in the structures, imposed by replacement of sulfur with selenium, were identified.

Item Type:	Article
Uncontrolled Keywords:	n(II) complex; selenazolyl-hydrazones; X-ray crystal structure; iso-steres; selenium; intermolecular energies
Subjects:	NATURAL SCIENCES NATURAL SCIENCES > Chemistry
Divisions:	Division of Physical Chemistry
Depositing User:	Virna Brumnić
Date Deposited:	27 Mar 2026 11:56
URI:	http://fulir.irb.hr/id/eprint/11525
DOI:	10.2298/JSC230831079A

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