Department of Chemistry, University of Burgos, Burgos, Spain.
J Phys Chem B. 2011 Nov 3;115(43):12473-86. doi: 10.1021/jp2062089. Epub 2011 Oct 10.
Two selected ammonium-based ionic liquids, 2-hydroxyethyltrimethylammonium L-(+)-lactate and tris(2-hydroxyethyl)methylammonium methylsulfate, were fully characterized. The most relevant thermophysical properties of pure fluids were measured and analyzed as a function of temperature. Structural features were inferred from solvatochromic and Fourier transform infrared (FTIR) studies. Moisture absorption ability was also studied by gravimetric, spectroscopic, and Karl Fischer methods. Likewise, the water effect on fluids properties was analyzed. Polarity was studied by approaches based on solvatochromic measurements and on the water effect on FTIR spectra. Moreover, as computational work, quantum chemistry and molecular dynamics simulation methods were used to analyze the main molecular-level structural features in these fluids. The work is divided into two parts; in this first paper, the main objective is fully characterizing these ionic liquids in the pure state, and in the second paper CO(2) absorption will be analyzed, therefore leading to a deep knowledge of factors controlling structuring, properties, and CO(2) absorption for this family of ionic liquids in comparison with available information for other relevant types of ionic liquids.
两种选定的铵基离子液体，2-羟乙基三甲基铵 L-(+)-乳酸盐和三(2-羟乙基)甲基铵硫酸甲酯，进行了全面的特性描述。测量和分析了纯流体的最相关热物理性质，作为温度的函数。通过溶剂化显色和傅里叶变换红外（FTIR）研究推断结构特征。通过重量法、光谱法和卡尔费休法研究了吸湿能力。同样，也分析了水对流体性质的影响。通过基于溶剂化显色测量和水对 FTIR 光谱影响的方法研究了极性。此外，作为计算工作，使用量子化学和分子动力学模拟方法来分析这些流体中的主要分子水平结构特征。这项工作分为两部分；在本文中，主要目的是全面描述这些在纯态下的离子液体，而在第二篇论文中，将分析 CO(2)吸收，从而深入了解控制结构、性质和 CO(2)吸收的因素，这些离子液体与其他相关类型的离子液体的可用信息进行比较。
