Thermodynamic Properties of Pyridine Based 1,3,4-Oxadiazole Scaffolds

D. Godhani, Anwar Saiyad, U. Mehta, Kuldip Parmar, J. Mehta
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Abstract

The present work describes the synthesis, characterization, and thermo-acoustical parameters of binary solutions of 1-(2-(4-fluorophenyl)-5-(pyridin-4- yl)-1,3,4-oxadiazol-3(2H)-yl)-3-(pyridin-2-yl)prop-2-en-1-one, (AS1-08) and 1-(2-(4- methoxyphenyl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-3(2H)-yl)-3-(pyridin-2-yl)prop-2-en-1- one, (AS1-12) in dimethyl sulfoxide (DMSO) and N, N-dimethylformamide (DMF) were estimated. Viscosity, ultrasonic velocity, and density methods at different solvents (DMSO and DMF) and different temperatures (298.15, 308.15, and 318.15 K) were used during the experimental research work. Some acoustic parameters such as adiabatic compressibility (κs), intermolecular free path length (Lf), Rao’s molar sound function (Rm), Van der Waals constant (b), internal pressure (π), free volume (Vf) and solvation number (Sn) were calculated. The results obtained were interpreted in terms of solute-solvent and solute-solute interactions. The thermodynamic and various acoustical properties were determined at three different temperatures viz. (298.15, 308.15, and 318.15 K) at atmospheric pressure. Likewise, the similarity between experimental results of the binary solutions was studied to analyze how the change in the structural modification and solvent changes the values of Gibbs energy of activation (ΔG*), enthalpy of activation (ΔH*), and entropy of activation (ΔS*).
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基于吡啶的 1,3,4-恶二唑支架的热力学性质
本文描述了1-(2-(4-氟苯基)-5-(吡啶-4-基)-1,3,4-恶二唑-3(2H)-基)-3-(吡啶-2-基)-3-(吡啶-4-基)-5-(吡啶-4-基)-1,3,4-恶二唑-3(2H)-基)-3-(吡啶-2-基)- 2-烯-1- 1 (AS1-12)二元溶液在二甲基亚砜(DMSO)和N, N-二甲基甲酰胺(DMF)中的合成、表征和热声参数的估计。采用不同溶剂(dmso和DMF)和不同温度(298.15、308.15和318.15 K)下的粘度、超声速度和密度法进行实验研究。计算了绝热压缩系数(κs)、分子间自由路径长度(Lf)、Rao摩尔声函数(Rm)、范德华常数(b)、内压(π)、自由体积(Vf)和溶剂化数(Sn)等声学参数。所得结果被解释为溶质-溶剂和溶质-溶质相互作用。在三种不同温度(298.15、308.15和318.15 K)的常压下测定了材料的热力学和各种声学特性。同样,研究了二元溶液实验结果的相似性,分析了结构修饰和溶剂的变化对吉布斯活化能(ΔG*)、活化焓(ΔH*)和活化熵(ΔS*)值的影响。
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