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Dynamic solvation in imidazolium-based ionic liquids on short time scales

机译:在短时间内在咪唑基离子液体中动态溶剂化

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Steady-state and time-resolved Stokes shift data for the probe coumarin 153 in two imidazoles, six imidazolium-based ionic liquids, and several other solvents are presented. These results are consistent with our original suggestion (J. Phys. Chem. B 2004, 108, 10245- 10255) that initial solvation is dominated by the organic moiety of the ionic liquid, and they show that for the imidazole-based liquids initial solvation is in all cases very rapid. Solvation by methylimidazole and butylimidazole is complete in 100 ps, and all of the imidazolium ionic liquids demonstrate similarly rapid initial solvation. Owing to the importance of determining the amount of initial solvation that is missed in a given experiment with finite time resolution, we discuss a method of estimating the intramolecular contribution to the reorganization energy. This method yields 2068 cm(-1) and is compared with an alternative method.
机译:提供了在两种咪唑,六种咪唑基离子液体和几种其他溶剂中香豆素153的稳态和时间分辨斯托克斯位移数据。这些结果与我们最初的建议(J. Phys。Chem。B 2004,108,10245- 10255)一致,即最初的溶剂化作用主要由离子液体的有机部分组成,并且表明基于咪唑的液体最初的溶剂化作用在所有情况下都非常快。甲基咪唑和丁基咪唑的溶剂在100 ps内完成,所有咪唑鎓离子液体都表现出相似的快速初始溶剂化。由于确定在有限时间分辨率的给定实验中错过的初始溶剂化量的重要性,我们讨论了一种估算分子内对重组能量贡献的方法。该方法产生2068 cm(-1),并与替代方法进行比较。

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