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Free-Energy Relationships and Solvatochromatic Properties of 1-Alkyl-3-methylimidazolium Ionic Liquids

机译:1-烷基-3-甲基咪唑鎓离子液体的自由能关系和溶剂变色性质

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摘要

Contributions to Kamlett and Taft solvatochromatic parameters for a range of ionic liquids (ELs) have been determined by investigation and correlation of the solvatochromatic responses of the dyes 4-nitroanisole, Reichardt's betaine, and 4-nitrophenol. These studies show that whilst ILs are polar, in terms of descriptors π*, α, and β, differences in the properties of the ILs derive from variations in their hydrogen-bond donor (HBD) and acceptor (HBA) capability, and perhaps, for a wider set of ILs, in polarity (π*). In addition, distribution ratios have been determined for a selection of small organic solutes in biphasic systems composed of [1-alkyl-3-methylimidazolium][PF_6] ILs and water and compared to distribution in the 1-octanol-water system. The free energy of transfer of a methylene group has been determined and solute distribution modeled using a Linear Free Energy Relationship (LFER) based upon Abraham's generalized solvation equation.
机译:通过研究和研究了染料4-硝基苯甲醚,理查德的甜菜碱和4-硝基苯酚的溶剂化显色响应并确定了一系列离子液体(EL)对Kamlett和Taft溶剂化显色参数的贡献。这些研究表明,尽管IL是极性的,但在描述子π*,α和β方面,IL的性质差异却来自其氢键供体(HBD)和受体(HBA)能力的变化,也许,对于更大范围的IL,极性(π*)。此外,已经确定了由[1-烷基-3-甲基咪唑鎓] [PF_6] IL和水组成的双相体系中小的有机溶质的分配比例,并将其与1-辛醇-水体系中的分布进行了比较。已经确定了亚甲基转移的自由能,并基于亚伯拉罕的广义溶剂化方程,使用线性自由能关系(LFER)对溶质分布进行了建模。

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