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题名: Polarization and experimental configuration analyses of sum frequency generation vibrational spectra, structure, and orientational motion of the air/water interface
作者: Gan, W;  Wu, D;  Zhang, Z;  Feng, RR;  Wang, HF
刊名: JOURNAL OF CHEMICAL PHYSICS
发表日期: 2006-03-21
DOI: 10.1063/1.2179794
卷: 124, 期:11
收录类别: SCI
文章类型: Review
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
英文摘要: Here we report a detailed study on spectroscopy, structure, and orientational distribution, as well as orientational motion, of water molecules at the air/water interface, investigated with sum frequency generation vibrational spectroscopy (SFG-VS). Quantitative polarization and experimental configuration analyses of the SFG data in different polarizations with four sets of experimental configurations can shed new light on our present understanding of the air/water interface. Firstly, we concluded that the orientational motion of the interfacial water molecules can only be in a limited angular range, instead of rapidly varying over a broad angular range in the vibrational relaxation time as suggested previously. Secondly, because different vibrational modes of different molecular species at the interface has different symmetry properties, polarization and symmetry analyses of the SFG-VS spectral features can help the assignment of the SFG-VS spectra peaks to different interfacial species. These analyses concluded that the narrow 3693 cm(-1) and broad 3550 cm(-1) peaks belong to C(infinity upsilon) symmetry, while the broad 3250 and 3450 cm(-1) peaks belong to the symmetric stretching modes with C(2 upsilon) symmetry. Thus, the 3693 cm(-1) peak is assigned to the free OH, the 3550 cm(-1) peak is assigned to the singly hydrogen-bonded OH stretching mode, and the 3250 and 3450 cm(-1) peaks are assigned to interfacial water molecules as two hydrogen donors for hydrogen bonding (with C(2 upsilon) symmetry), respectively. Thirdly, analysis of the SFG-VS spectra concluded that the singly hydrogen-bonded water molecules at the air/water interface have their dipole vector directed almost parallel to the interface and is with a very narrow orientational distribution. The doubly hydrogen-bonded donor water molecules have their dipole vector pointing away from the liquid phase. (c) 2006 American Institute of Physics.
关键词[WOS]: LIQUID-VAPOR INTERFACE ;  HYDROGEN-BOND DYNAMICS ;  DENSITY-FUNCTIONAL THEORY ;  X-RAY REFLECTIVITY ;  SURFACE-ADSORPTION LAYERS ;  2ND HARMONIC-GENERATION ;  ACID-WATER MIXTURES ;  CH STRETCHING MODES ;  MOLECULAR-DYNAMICS ;  2ND-HARMONIC GENERATION
语种: 英语
WOS记录号: WOS:000236160000042
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/140361
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.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China

Recommended Citation:
Gan, W,Wu, D,Zhang, Z,et al. Polarization and experimental configuration analyses of sum frequency generation vibrational spectra, structure, and orientational motion of the air/water interface[J]. JOURNAL OF CHEMICAL PHYSICS,2006,124(11).
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