SYNTHESIS AND STUDY OF NEW COMPLEX COMPOUNDS OF COPPER(II) AND (5-METHYL-1,3,4-THIADIAZOLE-2-YLSULFANIL)-ACETIC ACID

Authors

Ekaterina V. KINSHAKOVA, National University of Uzbekistan, Tashkent, UzbekistanFollow
Aziz K. Atashov, National University of Uzbekistan, Tashkent, UzbekistanFollow
Batirbay S. TORAMBETOV, National University of Uzbekistan, Tashkent, UzbekistanFollow
Shakhnoza A. KADIROVA, National University of Uzbekistan, Tashkent, UzbekistanFollow

Abstract

The purpose of this study is to synthesize new copper (II) coordination compounds with a heterocyclic polydentate ligand (5-methyl-1,3,4-thiadiazole-2-ylsulfanyl) -acetic acid and to study their structure. The structure of the complexes was established by the method of X-ray diffraction analysis (XRD) of single crystals, it was shown that the complexes have a polymer structure and a coordination polyhedron of the square pyramid type, however, one of them is mono-nuclear composition (C₁₀H₁₄CuN₄O₆S₄*2H₂O)_n, and the second is bi-nuclear composition of cluster type (C₂₀H₂₀Cu₂N₈O₈S₈*6H₂O)_n. The electronic structure of the monomeric units of the complexes was studied by quantum-chemical methods within the framework of the density functional theory (DFT/B3LYP). The reactivity descriptors of the complexes were calculated based on the calculated energies of higher occupied and lower free molecular orbitals.

Recommended Citation

KINSHAKOVA, Ekaterina V.; Atashov, Aziz K.; TORAMBETOV, Batirbay S.; and KADIROVA, Shakhnoza A. () "SYNTHESIS AND STUDY OF NEW COMPLEX COMPOUNDS OF COPPER(II) AND (5-METHYL-1,3,4-THIADIAZOLE-2-YLSULFANIL)-ACETIC ACID," CHEMISTRY AND CHEMICAL ENGINEERING: Vol. 2025: No. 1, Article 3.
DOI: https://doi.org/10.59048/cce202513
Available at: https://cce.researchcommons.org/journal/vol2025/iss1/3