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题名: Surface of room temperature ionic liquid [bmim][PF6] studied by polarization- and experimental configuration-dependent sum frequency generation vibrational spectroscopy
作者: Deng, Ganghua1;  Guo, Youqi2;  Li, Xia3, 4;  Zhang, Zhen3, 4;  Liu, Shilin1;  Lu, Zhou3, 4;  Guo, Yuan3, 4
关键词: ionic liquid ;  sum frequency generation vibrational spectroscopy ;  interface ;  orientation
刊名: SCIENCE CHINA-CHEMISTRY
发表日期: 2015-03-01
DOI: 10.1007/s11426-014-5241-5
卷: 58, 期:3, 页:439-447
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Multidisciplinary
研究领域[WOS]: Chemistry
英文摘要: Understanding and control of the surface properties such as molecular orientations are of great importance in numerous applications of ionic liquids. However, there remain discrepancies among the previous experimental and theoretical studies on the surface orientation and structures of room temperature ionic liquids (RTIL) systems. In this article, the orientation of 1-butyl-3-methylimidazolium ([bmin]) cation at the air/liquid interface of a characteristic RTIL, 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]), was investigated by the sum frequency generation vibrational spectroscopy (SFG-VS). Detailed polarization and experimental configuration analyses of the SFG-VS spectra showed the possibility of a small spectral splitting in the CH3 symmetric stretching region, which can be further attributed to the probable existence of multiple orientations for the interfacial [bmim] cations. In addition, the (N)-CH3 vibrations were absent, ruling out the prediction by several recent molecular dynamics simulations which state that portions of the [bmim] cations orient with a standing-up (N)-CH3 group at the ionic liquid surface. Hence, new realistic theoretical models have to be developed to reflect the complex nature of the ionic liquid surface.
关键词[WOS]: MOLECULAR-DYNAMICS ;  IMIDAZOLIUM CATION ;  SFG-VS ;  ORIENTATION ;  INTERFACE ;  SEPARATIONS ;  WATER ;  CONFORMATION ;  SIMULATION ;  SCATTERING
语种: 英语
WOS记录号: WOS:000350336500013
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/146067
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Peoples R China
2.Nanjing Univ Aeronaut & Astronaut, Nanjing 211106, Jiangsu, Peoples R China
3.Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
4.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China

Recommended Citation:
Deng, Ganghua,Guo, Youqi,Li, Xia,et al. Surface of room temperature ionic liquid [bmim][PF6] studied by polarization- and experimental configuration-dependent sum frequency generation vibrational spectroscopy[J]. SCIENCE CHINA-CHEMISTRY,2015,58(3):439-447.
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