Title: Synthesis, Structure, Tautomerism And Investigation Of Some Quantum Chemical Parameters Of Compound 2-(4,6-Dioxo-1,3,5-Triazinan-2-Ylidene)Hydrazinecarboxyamide
Authors: Bakhtiyor Shukurullayevich Ganiyev and Ferangiz Sadilloyevna Aslonova
Volume: 5
Issue: 5
Pages: 104-106
Publication Date: 2021/05/28
Abstract:
This article describes the synthesis and tautomerism of 2-(4,6-dioxo-1,3,5-triazinan-2-ylidene) hydrazinecarboxyamide. The synthesized compound was investigated using elemental analysis methods, and quantum chemical calculations performed in ChemCraft 1.8 and Gaussian programs. Composite methods of the Gaussian family (G4) and density functional theory (DFT) methods (BLYP / 6-311 + G (d, p)) were used. The data obtained indicate that the BLYP / 6-311 + G (d, p) well suited for describing such systems in order to save machine resources. Based on the calculated resistance series, it was established that the main form is diketo-enolform.