Department of Physics, Thiagarajar College, Madurai 625009, Tamil Nadu, India.
Spectrochim Acta A Mol Biomol Spectrosc. 2011 Oct 15;81(1):172-7. doi: 10.1016/j.saa.2011.05.097. Epub 2011 Jun 15.
FTIR and 13C NMR spectral studies have been carried out on diisopropyl ether-propionic acid binary mixture to probe the molecular interactions and stoichiometry of complexation. Density functional theory (DFT) calculations of vibrational frequencies of pure acid and ether-acid binary mixtures have also been performed. In addition, Kirkwood-correlation factors, excess permittivity and excess free energy of mixing have been obtained at various concentrations and at four different temperatures from the dielectric measurements. Excess permittivity is found to have positive deviation and excess free energy deviates negatively from ideal behaviour.
傅里叶变换红外光谱（FTIR）和 13C 核磁共振（NMR）光谱研究了二异丙醚-丙酸二元混合物，以探究配合物的分子相互作用和化学计量比。还对纯酸和醚-酸二元混合物的振动频率进行了密度泛函理论（DFT）计算。此外，还从介电测量中获得了在不同浓度和四个不同温度下的克伍德相关因子、超额介电常数和超额混合自由能。发现超额介电常数呈正偏差，超额自由能偏离理想行为呈负偏差。
