期刊
APPLIED SPECTROSCOPY
卷 66, 期 2, 页码 208-217出版社
SAGE PUBLICATIONS INC
DOI: 10.1366/11-06427
关键词
Mid-IR spectroscopy; Attenuated total reflection; ATR; Ionic liquid; Water; Indirect hard modeling; Fourier transform infrared spectroscopy; FT-IR spectroscopy; EMIMAc; BMIMCI; DMIMDMP
资金
- Excellence Initiative by the German federal and state governments to promote science and research at German universities
An analytical method for the quantitative characterization of binary mixtures of water and ionic liquids (ILs) is presented. Mid-infrared (mid-IR) spectroscopy in combination with indirect hard modeling (IHM) is employed to quantify the water content in 1-butyl-3-methylimidazolium chloride (BMIMCI), 1,3-dimethylimidazolium dimethylphosphate (DMIMDMP), and 1-ethyl-3-methylimidazolium acetate (EMIMAc). Despite significant nonlinear shifts of the spectral bands, a good spectral fit with calibration errors of less than 2.3 wt % can be achieved almost over the whole concentration range. A profound analysis of the spectral models including peak assignment substantiates the physico-chemical foundation of the spectral models. Furthermore, the shift of peak functions in the spectral models is shown to provide a measure of molecular interaction in IL-water mixtures, which can also be utilized quantitatively. The vibrational bands of the water dipole reveal differences in the strength of hydrogen bonding with water in the IL studied. These properties of the spectral hard models demonstrate their quantitative analytical potential and set the stage for multivvay calibration in comprehensive reaction monitoring in these highly interacting mixtures of IL and water.
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