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首页> 外文期刊>The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical >Vaporization and Formation Enthalpies of 1-Alkyl-3-methylimidazolium Tricyanomethanides
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Vaporization and Formation Enthalpies of 1-Alkyl-3-methylimidazolium Tricyanomethanides

机译：1-烷基-3-甲基咪唑三氰胺的汽化和形成焓

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摘要

Thermochemical studies of the ionic liquids l-ethyl-3-methylimidazolium tricyanomethanide [C2MIM][C(CN)3] and l-butyl-3-methylimidazolium tricyano-methanide [C4MIM][C(CN)3] have been performed in this work. Vaporization enthalpies have been obtained using a recently developed quartz crystal microbalance (QCM) technique. The molar enthalpies of formation of these ionic liquids in the liquid state were measured by means of combustion calorimetry. A combination of the results obtained from QCM and combustion calorimetry lead to values of gaseous molar enthalpies of formation of [C?MIM][C(CN)3]. First-principles calculations of the enthalpies of formation in the gaseous phase for the ionic liquids [C_nMIM][C(CN)3] have been performed using the CBS-QB3 and G3MP2 theory and have been compared with the experimental data. Furthermore, experimental results of enthalpies of formation of imidazolium-based ionic liquids with the cation[C_nMIM] (where n = 2 and 4) and anions [N(CN)2], [NO3], and [C(CN)3] available in the literature have been collected and checked for consistency using a group additivity procedure. It has been found that the enthalpies of formation of these ionic liquids roughly obey group additivity rules.
机译：在此进行了离子液体1-乙基-3-甲基咪唑三氰基甲烷[C2MIM] [C（CN）3]和1-丁基-3-甲基咪唑三氰基甲烷[C4MIM] [C（CN）3]的热化学研究。工作。使用最近开发的石英晶体微量天平（QCM）技术已经获得了汽化焓。通过燃烧量热法测量液态的这些离子液体形成的摩尔焓。从QCM和燃烧量热法获得的结果相结合，得出[C2MIM] [C（CN）3]的气态摩尔焓值。使用CBS-QB3和G3MP2理论对离子液体[C_nMIM] [C（CN）3]的气相生成焓进行了第一性原理计算，并将其与实验数据进行了比较。此外，与阳离子[C_nMIM]（其中n = 2和4）和阴离子[N（CN）2]，[NO3]和[C（CN）3]形成咪唑基离子液体的焓的实验结果。收集了文献中所有可用的成分，并使用组加和法检查了一致性。已经发现，这些离子液体的形成焓大致服从基团加和规则。

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