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A probe on the intermolecular forces in diisopropyl ether-n-butyric acid mixture by dielectric, FTIR studies and quantum chemical calculations

机译:通过介电,FTIR研究和量子化学计算探讨二异丙基醚-正丁酸混合物中的分子间力

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摘要

The results of FTIR spectral measurement on equimolar diisopropyl ether-butyric acid binary mixture and quantum chemical calculations on the complex molecule have been presented. Dielectric studies have been carried out on the binary mixture over the entire composition range and at four different temperatures 303 K, 308 K, 313 K and 318 K. n-Butyric acid seems to prefer less polar ether to interact with it. It appears that the usual interpretation of variation of static dielectric constant and positive deviation of excess permittivity from ideal mixture behavior needs to be relooked.
机译:给出了等摩尔二异丙基醚-丁酸二元混合物的FTIR光谱测量结果以及复杂分子的量子化学计算结果。已经在整个组成范围内以及在四个不同的温度303 K,308 K,313 K和318 K上对二元混合物进行了介电研究。正丁酸似乎更喜欢极性较小的醚与之相互作用。看来,通常需要重新解释静态介电常数的变化以及过量介电常数与理想混合物行为之间的正偏差。

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