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Kamlet–Taft's Solvatochromic Parameters for Nonaqueous Binary Mixtures between n-Hexane and 2-Propanol, Tetrahydrofurane, and Ethyl Acetate

机译:正己烷和2-丙醇,四氢呋喃和乙酸乙酯之间的非水二元混合物的Kamlet-Taft溶剂变色参数

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摘要

The π*, α, and β Kamlet–Taft solvatochromic solvent parameters have been determined for nonaqueous binary mixtures commonly used in normal-phase liquid chromatography (NPLC), such as ethyl acetate n-hexane, tetrahydrofurane n-hexane, and 2-propanol n-hexane from spectroscopic data by using several UV-visible absorbing probes. Because preferential solvation is almost nonexistent for the π* probes in the different binary mixtures, we conclude that the measured values reflect quite well the dipolarity–polarizability of the bulk solution. However, strong preferential solvation for the different α and β probes in all mixtures studied here shows that the solvent parameters obtained reflect the properties of the solvation shell more than the bulk properties. This observation does not necessarily mean that the α and β values obtained will not be useful in multiple linear regressions (MLR), but results should be interpreted with care and will depend on the particular situation. Actually, results will make sense only if the particular solute under study preferentially solvates in a fashion similar to that of the α and β solvatochromic probes.
机译:对于正相液相色谱(NPLC)中常用的非水二元混合物,例如乙酸乙酯正己烷,四氢呋喃正己烷和2-丙醇,已经确定了π*,α和βKamlet-Taft溶剂变色溶剂参数通过使用几种紫外线可见吸收探针从光谱数据中得到正己烷。由于在不同的二元混合物中π*探针几乎不存在优先溶剂化作用,因此我们得出的结论是,测量值很好地反映了整体溶液的偶极-极化性。但是,在这里研究的所有混合物中,对于不同的α和β探针,强烈的优先溶剂化表明,所获得的溶剂参数比整体性能更能反映溶剂化壳的性能。该观察结果不一定意味着所获得的α和β值在多元线性回归(MLR)中将无用,但应谨慎解释结果,并取决于特定情况。实际上,只有当所研究的特定溶质优先以类似于α和β溶剂变色探针的方式溶剂化时,结果才有意义。

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