Surface of room temperature ionic liquid [bmim][PF6] studied by polarization- and experimental configuration-dependent sum frequency generation vibrational spectroscopy

	Surface of room temperature ionic liquid [bmim][PF6] studied by polarization- and experimental configuration-dependent sum frequency generation vibrational spectroscopy
	Deng, Ganghua 1; Guo, Youqi 2; Li, Xia 3,4; Zhang, Zhen 3,4; Liu, Shilin 1; Lu, Zhou 3,4; Guo, Yuan 3,4
刊名	science china-chemistry
	2015-03-01
卷号	58 期号:3 页码:439-447
关键词	ionic liquid sum frequency generation vibrational spectroscopy interface orientation
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.
WOS标题词	science & technology ; physical sciences
类目[WOS]	chemistry, multidisciplinary
研究领域[WOS]	chemistry
关键词[WOS]	molecular-dynamics ; imidazolium cation ; sfg-vs ; orientation ; interface ; separations ; water ; conformation ; simulation ; scattering
收录类别	SCI
语种	英语
WOS记录号	WOS:000350336500013
公开日期	2016-05-09
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/146067]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
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
推荐引用方式 GB/T 7714	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.
APA	Deng, Ganghua.,Guo, Youqi.,Li, Xia.,Zhang, Zhen.,Liu, Shilin.,...&Guo, Yuan.(2015).Surface of room temperature ionic liquid [bmim][PF6] studied by polarization- and experimental configuration-dependent sum frequency generation vibrational spectroscopy.science china-chemistry,58(3),439-447.
MLA	Deng, Ganghua,et al."Surface of room temperature ionic liquid [bmim][PF6] studied by polarization- and experimental configuration-dependent sum frequency generation vibrational spectroscopy".science china-chemistry 58.3(2015):439-447.