標題: Specific interactions between the quaternary ammonium oligoether-based ionic liquid and water as a function of pressure
作者: Chang, Hai-Chou
Jiang, Jyh-Chiang
Chen, Tsai-Yi
Wang, Hsing-Sheng
Li, Leo Yuxiu
Hung, Wei-Wen
Lin, Sheng Hsien
應用化學系
Department of Applied Chemistry
公開日期: 2013
摘要: The interactions between Ammoeng 100 and water are probed using high-pressure infrared measurements and DFT-calculations. The results of infrared absorption profiles suggest that the energetically favored approach for water molecules to interact with Ammoeng 100 is via the formation of anion-water interactions, whereas the alkyl C-H groups play much less important roles. After comparison with pure Ammoeng 100, it appears that no appreciable changes in band frequencies of alkyl C-H vibrations occurred as Ammoeng 100 was mixed with D2O. The presence of D2O has a red-shift effect on the peak frequency of the S-O stretching vibration under the pressures below 1 GPa in comparison to the absorption frequencies of pure Ammoeng 100. This observation is likely related to local structures of the S=O groups interacting with D2O molecules. DFT-calculations indicate that the most energetically favored conformation of ion pairs should be the species having only one hydrophilic hydrogen bonding. The results of calculations reveal that water addition may induce the partial replacement of C-H center dot center dot center dot O interactions with strong hydrogen bonding between anions and water molecules.
URI: http://hdl.handle.net/11536/22440
http://dx.doi.org/10.1039/c3cp51396c
ISSN: 1463-9076
DOI: 10.1039/c3cp51396c
期刊: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume: 15
Issue: 30
起始頁: 12734
結束頁: 12741
顯示於類別:期刊論文


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