Determine of pyridine, 2-choloropyridine and 3-choloropyridine on the basis of normal coordinate analysis

In this thesis, the vibrational frequences of pyridine, 2- cholopyridine (2-clpy) and 3-choloropyridine (3-clpy) were calculated on the basis of normalcoordinate analysis. Optimized parameters were used for this calculations. Theparameter optimization of pyridine, 2- cholopyridine and 3-choloropyridine wasperfomed by chemical calculation methods that include semi-empirical (MNDO,AM1, PM3), DFT (HF) and ab-initio (B3LYP) by using GAUSSIAN program.Experimental vibrational frequences were compared both vibrational modes thatwere calculated by using symmetry and group theory and chemical calculationdatas. Obtained vibrational frequences from each calculation methods werepresented as a table. By the using the table, vibrational frequences wich most nearexperimental frequences were obtained.Keywords: Normal Coordinate Analysis, Pyridine, Vibrational Frequence,Chemical Calculations, Symmetry and Group Theory.i