Vibrational spectroskopik and theoretical investigation of some hydrazide derivatives

In this thesis, the vibrational spectroscopial and theoretical investigation of some hidrazide derivatives were made. Vibrational spectra were measured experimentally and also calculated theoretically to assign unknown bands. In addition compound?s geometries were optimized trough conformation analysis by Gaussian programe using DFT method. The minimum energies of the compounds have been calculated and Hydrogen bonds were searched by the NBO analysis. Using the optimized geometry (bond lengths, bond angles), atomic masses and force constants as input the vibrational frequencies were calculated. Atomic radii and electronegativities were used additionally as input data to calculate IR and RAMAN activities. Point group symmetries were employed primarily for normal coordinate treatment of the related compounds. Wilson?s GF Matrix method was used for the calculation of vibrational frequencies and the program package SPSIM was employed for these calculations.