Quantum Chemical Calculations of m-Toluidine and Investigation of Its Adsorption on Eggshells

Aromatic nitro compounds, which have good water solubility, are one of the essential industrial pollutants, highly toxic and non-biodegradable, adversely affect human health, aquatic life, environment. For this reason, eliminating these harmful organic compounds has become a subject great importance is frequently studied. In study, we investigated adsorption m-toluidine on three types eggshells characterized by FT-IR FT-Raman spectroscopy. Also, theoretical analysis was determined using density functional theory GAUSSIAN 09 software program. Molecular electrostatic analysis, Infrared Raman vibrational bands, frontier molecular orbitals, geometry were for purpose.