首页> 外文期刊>Journal of Solution Chemistry >Determination of the Apparent Molar Refraction and Partial Molar Volume at Infinite Dilution of Thiophene-, Pyrrole- and Furan-2-Carboxaldehyde Phenylhydrazone Derivatives in Acetonitrile at 293.15 K
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Determination of the Apparent Molar Refraction and Partial Molar Volume at Infinite Dilution of Thiophene-, Pyrrole- and Furan-2-Carboxaldehyde Phenylhydrazone Derivatives in Acetonitrile at 293.15 K

机译:在293.15 K下无限稀释乙腈中的噻吩,吡咯和呋喃2-甲醛苯hydr衍生物的表观摩尔折射和部分摩尔体积的测定

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摘要

High-precision densitometry and high-accuracy refractometry measurements of extremely dilute solutions of the thiophene-2- (TCPH), pyrrole-2- (PCPH) and furan-2-carboxaldehyde-phenylhydrazone (FCPH) compounds in acetonitrile have been obtained at 293.15 K. The partial molar volumes V 2^∞ of each compound at infinite dilution were determined. The apparent molar refraction of these solutes at infinite dilution at 293.15 K has been experimentally determined within the Kohner-Geffcken-Grunwald-Haley approximation. The volumetric and refractometric results were interpreted in terms of the Pauling electronegativity and intrinsic molar volume of the heteroatom, and the aromaticity of the heterocyclic rings. The experimental results indicate that solute-solute interactions are negligible within the concentration range studied. Theoretical calculations at the DFT-B3LYP/6?311++G(3d,3p) level of molecular volumes support the interpretation that the volumetric contribution from the solute-solvent interactions to the limiting partial molar volumes of solutes are very small and thus solute molecules are isolated in this medium.
机译:于293.15获得了噻吩-2-(TCPH)​​,吡咯-2-(PCPH)和呋喃-2-羧醛-苯hydr(FCPH)化合物在乙腈中极稀溶液的高精度光密度法和高精度折光率测量。 K.测定每种化合物在无限稀释下的部分摩尔体积V 2 ^∞。这些溶质在293.15 K无限稀释下的表观摩尔折射已通过Kohner-Geffcken-Grunwald-Haley近似实验确定。用杂原子的鲍林电负性和固有摩尔体积以及杂环的芳香性来解释体积和折光法结果。实验结果表明,在所研究的浓度范围内,溶质-溶质相互作用可忽略不计。 DFT-B3LYP / 6?311 ++ G(3d,3p)分子体积水平的理论计算支持以下解释:溶质-溶剂相互作用对溶质的极限部分摩尔体积的体积贡献非常小,因此溶质在这种介质中分离出分子。

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