Title of article :
NMR and vibrational spectra of 2-methoxycarbonyl-7-methyl-1,3-thiazino[3,2- b][1,2,4]triazine-4,8-dione: a joint of experimental and DFT
Author/Authors :
Zardoost, M. R Department of Chemistry - Qaemshahr Branch - Islamic Azad University, Qaemshahr , Nami, N Department of Chemistry - Qaemshahr Branch - Islamic Azad University, Qaemshahr , Azimi, M Department of Chemistry - Qaemshahr Branch - Islamic Azad University, Qaemshahr
Abstract :
The IR and NMR spectra were coupled with quantum chemical calculations in DFT approach using
the hybrid B3LYP exchange-correlation functional to confirm the structure of 2-methoxycarbonyl-7-
methyl-1,3-thiazino[3,2-b][1,2,4]triazine-4,8-dione 2d.
Keywords :
Density functional theory , Infrared spectra , NMR
Journal title :
Astroparticle Physics
