عنوان المقالة:الدراسة النظرية والطيفية وتكوين (1-(4,4-Dimethyl-2,6- Dithioxo-1,3,5-Triazinan-1-yl)-3-(Diethylaminocarbonyl)Thiourea) Formation, Spectral and Theoretical Studies of 1-(4,4-Dimethyl-2,6- Dithioxo-1,3,5-Triazinan-1-yl)-3-(Diethylaminocarbonyl)Thiourea
نصري جاسم حسين, ستي فيروز محي يوسف, يانك فيراني, بيداء كريم الربيعي, محمد جابر الجبوري, عمران فخار, ستي عائشة حسب الله, مهدي شهاب
English Authors
Nasry Jassim Hussien1,2, Siti Fairus Mohd Yusoff1*, Yang Farina1, Baidaa K.AlRubaye3, Mohamad J. Al-Jeboori3*, Imran Fakhar1, Siti Aishah Hasbullah1, Mehdi Shihab
Abstract
The reaction of diethylcarbamic chloride (one mole equivalent), ammonium thiocyanate (two mole
equivalents) and thiosemicarbazide (one mole equivalent) in an acetone medium resulted in the
formation of the unexpected4,4-dimethyl-2,6-dithioxo-1,3,5-triazinan-1-yl)-3-(diethylaminocarbonyl)-
thiourea3in 83% yield. The chemical structure of the title compound was confirmed by IR, NMR and
elemental analysis. Further, a suggested mechanism has been proposed to illustrate the route for the
formation of the title compound. In addition, theoretical evaluations of the stable geometries of
compound3were carried out using semi-empirical molecular quantum calculations with the PM3 method.
أ. د. محمد جابر الجبوري | Mohamad J. Al-Jeboori | 4967