Vibrational and DFT Study of 5-(3-Pyridyl-Methylidene)-Thiazolidine-2-Thione-4-One
The molecular vibrations of 5-(3-pyridyl-methylidene)-thiazolidine-2-thione-4-one (5-3-PMTT) were investigated by FT-IR, FT-Raman and SERS spectroscopies. In parallel, quantum chemical calculations based on density functional theory (DFT) are used to determine the geometrical, energetic and vibrational characteristics of the molecule. The three possible tautomers of 5-3-PMTT (thione, thiol and enol) have been analyzed by theoretical methods and their
Read more