Molecular electrostatic analysis, Infrared and Raman vibrational bands, frontier molecular orbitals, and molecular geometry were investigated for this purpose.
📌 3 Key Takeaways
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Objective & Hypothesis:Aromatic nitro compounds, which have good water solubility, are one of the essential industrial pollutants, highly toxic and non-biodegradable, and adversely affect human health, aquatic life, and the environment.
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Key Findings & Data:Also, the theoretical analysis of these harmful organic was determined using density functional theory on GAUSSIAN 09 software program.
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Conclusion & Impact:Molecular electrostatic analysis, Infrared and Raman vibrational bands, frontier molecular orbitals, and molecular geometry were investigated for this purpose.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:m-Toluidine · Quantum Chemical Calculation · Adsorption
Abstract
Aromatic nitro compounds, which have good water solubility, are one of the essential industrial pollutants, highly toxic and non-biodegradable, and adversely affect human health, aquatic life, and the environment. For this reason, eliminating these harmful organic compounds has become a subject of great importance and is frequently studied. In this study, we have investigated the adsorption of m-toluidine on three types of eggshells characterized by FT-IR and FT-Raman spectroscopy. Also, the theoretical analysis of these harmful organic was determined using density functional theory on GAUSSIAN 09 software program. Molecular electrostatic analysis, Infrared and Raman vibrational bands, frontier molecular orbitals, and molecular geometry were investigated for this purpose.
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