Zn(II) complex with pyridine based 1,3-selenazolyl-hydrazone: Synthesis, structural characterization and DFT study
| Autor: | Araškov Jovana B., Ristić Predrag G., Višnjevac Aleksandar, Milivojac Andrej Lj., Mitić Dragana M., Filipović Nenad R., Todorović Tamara R. |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2023 |
| Předmět: | |
| Zdroj: | Journal of the Serbian Chemical Society, Vol 88, Iss 12, Pp 1355-1367 (2023) |
| Druh dokumentu: | article |
| ISSN: | 0352-5139 1820-7421 23083107 |
| DOI: | 10.2298/JSC230831079A |
| Popis: | 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. |
| Databáze: | Directory of Open Access Journals |
| Externí odkaz: |
|