Novel Zinc Compound with Thiosemicarbazone of Glyoxylic Acid: DFT Calculations

Huseynova M., Aliyeva M., Medcidov A., Yalçın B., Özdemir M., Hamidova S., ...More

1st International Congress on Natural Sciences (ICNAS-2021), Erzurum, Turkey, 10 - 12 September 2021, pp.558-560

  • Publication Type: Conference Paper / Full Text
  • City: Erzurum
  • Country: Turkey
  • Page Numbers: pp.558-560
  • Marmara University Affiliated: Yes


An impressive new zinc complex Zn2C12H22N12O11S4 has been synthesized by the reaction of thiosemicarbazone of glyoxylic acid and the absolute crystal structure of the complex was defined using the single-crystal X-ray diffraction technique. It was seen in X-ray measurements that the complex crystallized in the triclinic system with the P-1 space group. The structure of Zn(II) represents distorted octahedral geometry around the central zinc metal. Density functional theory calculations were performed in the B3LYP functional using LANL2DZ basis set to theoretically determine the structural properties of the synthesized complex.