Ponte Academic Journal Nov 2020, Volume 76, Issue 11 |
MOLECULAR INTERACTION PARAMETERS THROUGH FTIR SPECTRAL ANALYSIS Author(s): K. Srisanthi ,Sk. Suriya Shihab, K. Mallika, S. Sreehari Sastrym J. Ponte - Nov 2020 - Volume 76 - Issue 11 doi: 10.21506/j.ponte.2020.11.11 Abstract: Molecular interaction parameters and the strength of molecular interactions in the binary mixtures of Propylene glycol and Heptanol for different molar ratios are investigated through FTIR spectral data analysis. The intermolecular interaction parameters: Force constant, bond length, infrared intensity enhancement and molecular polarizability are considered in the computation. These parameters are very sensitive to the shifts in the vibrational frequencies that are caused by molecular interactions of functional groups. Propylene glycol (PG) and Heptanol for different molar ratios (PG + Heptanol: 0.1 + 0.9 to 0.9 + 0.1) that are taken for determining hydrogen bonded liquid complex systems. The results confirmed showing that the intermolecular hydrogen bond formation for molar ratio of the liquid complex 0.2 + 0.8 is stronger compared to other molar systems. Further, the observed results are correlated by the statistical analysis of FTIR data. Such statistical analysis includes the computation of variance � covariance values and eigen values using MATALAB computational tool.
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