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预测 1-烷基-3-甲基咪唑甘氨酸氨基酸离子液体同系物的性质。

Predicting properties of amino acid ionic liquid homologue of 1-alkyl-3-methylimidazolium glycine.

机构信息

Key Laboratory of Rare and Scattered Elements, Liaoning University, Shenyang, China 110036.

出版信息

J Phys Chem B. 2010 Nov 4;114(43):13808-14. doi: 10.1021/jp107452q.

DOI:10.1021/jp107452q
PMID:20939610
Abstract

Amino acid ionic liquids (AAILs) [C(5)mim][Gly] (1-pentyl-3-methylimidazolium glycine) and [C(6)mim][Gly] (1-hexyl-3-methylimidazolium glycine) were prepared by the neutralization method and characterized by (1)H NMR spectroscopy and differential scanning calorimetry (DSC). The values of their density, surface tension, and refractive index were measured in the temperature range of 293.15-343.15 (±0.05) K. Since the AAILs can strongly form hydrogen bonds with water, the small amounts of water are difficult to remove from the AAILs by common methods. In order to eliminate the effect of the impurity water, the standard addition method (SAM) was applied to these measurements. In terms of semiempirical method, physicochemical properties molecular volume V(m), standard molar entropy S(0), parachor P, surface tension γ, thermal expansion coefficients α, molar refraction R(m), and refractive index n(D) of the homologue of [C(n)mim][Gly] (n = 2-6) were predicted. In comparison with the values of [C(2)mim][Gly] in literature, the predicted results were in good agreement within an order of magnitude.

摘要

氨基酸离子液体 (AAILs) [C(5)mim][Gly](1-戊基-3-甲基咪唑啉甘氨酸)和 [C(6)mim][Gly](1-己基-3-甲基咪唑啉甘氨酸)通过中和法制备,并通过(1)H NMR 光谱和差示扫描量热法 (DSC) 进行了表征。在 293.15-343.15 (±0.05) K 的温度范围内测量了它们的密度、表面张力和折射率的值。由于 AAILs 可以与水形成强氢键,因此通常的方法难以从 AAILs 中去除少量的水。为了消除杂质水的影响,采用标准加入法 (SAM) 进行了这些测量。在半经验方法方面,预测了 [C(n)mim][Gly](n = 2-6)同系物的物化性质摩尔体积 V(m)、标准摩尔熵 S(0)、折射值 P、表面张力 γ、热膨胀系数 α、摩尔折射 R(m)和折射率 n(D)。与文献中 [C(2)mim][Gly] 的值相比,预测结果在数量级上具有良好的一致性。

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