The experimental and theoretical investigation methods of the structure of 2-nitrobenzenesulfonamide, 3-nitrobenzenesulfonamide and 4-nitrobenzenesulfonamide molecules by spectroscophic

Molecular structure and vibration frequency analysis of 2-Nitrobenzenesulfonamide, 3-Nitrobenzenesulfonamide and 4-Nitrobenzenesulfonamide were measured in our study. All molecules were worked an experimentally and theoretically. FT-IR spectrums of molecules were saved between 4000 cm-1 and 400 cm-1, FT-Raman spectrums were saved between 4000 cm-1 and 50 cm-1. Theoretical and experimental IR and Raman spectrums were drawed. Bond angles, bond lenghts and vibration frequencies of the three molecules were calculated on the basic set, denstiy function theory and B3LYP theory by Gaussian 03 program and their value scale was compared with experimental values. Total energy distribution were done to find the vibration modes and SQM program was used fort his applications. In the end of the study, we gain informations about the geometric and electronic structures, interactions, symetry, bond lenghts, bond angles, bond powers, stabilities, physical and chemical structures of the molecules. We found that calculated theorical and experimental datas conformed in the end of the our study.