Revisiting the formation of cyclic clusters in liquid ethanol
作者： Mannix P. Balanay , Dong Hee Kim , Haiyan Fan
DOI: 10.1063/1.4945809
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摘要: The liquid phase of ethanol in pure and non-polar solvents was studied at room temperature using Fourier transform infrared (FT-IR) 1H nuclear magnetic resonance (NMR) spectroscopies together with theoretical approach. FT-IR spectra for solution cyclohexane different dilution stages are consistent NMR results. results from both methods were best explained by the density functional theory based on a multimeric model. It is suggested that cyclic trimers tetramers dominated cyclohexane/hexane concentration greater than 0.5M temperature. In ethanol, while primary components tetramers, there certain amount (∼14%) open hydroxide group representing existence chain like structures equilibria. cluster model concentrated (>0.5M) can be used to explain anomalously lower freezing point (159 K) water (273 ambient conditions. addition, various reveals dynamics formation clusters.
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