Femtosecond coherent anti-Stokes Raman scattering spectroscopy of hydrogen bonded structure in water and aqueous solutions

	Femtosecond coherent anti-Stokes Raman scattering spectroscopy of hydrogen bonded structure in water and aqueous solutions
	Zhu, Huaning 1; Li, Yang 1; Vdovic, Silvije 1,2; Long, Saran 1; He, Guiying 1; Guo, Qianjin 1
刊名	SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
	2015-12-05
卷号	151 页码:262-273
关键词	Coherent anti-Stokes Raman scattering Hydrogen bonded structure Perturbation theory based numerical calculation Molecular dynamics simulations
英文摘要	Femtosecond coherent anti-Stokes Raman scattering (fsCARS) spectroscopy, together with perturbation theory based numerical calculation, is employed to study OH stretching (nu(OH)) of pure water and aqueous lithium chloride solutions. Vibrational OH stretching (nu(OH)) modes of aqueous solutions are Raman-excited by a pair of ultrashort, femtosecond laser pulses, and then probed through inelastic scattering of a third, time-delayed laser field. In order to overcome limited spectral resolution of fsCARS, numerical evaluation of the CARS signal through vibrational wave packet propagation was employed in order to confirm the position of distinctive OH stretching mode that is complicated by intramolecular and intermolecular vibrational coupling. Moreover, in order to come to a microscopic description of the observed CARS spectra for aqueous solutions, we have performed molecular dynamics simulations of aqueous lithium chloride solutions with varying concentrations at ambient conditions. To this end we have analyzed the equilibrium distributions of hydrogen bonds in the first solvation shells of the ions as well as in bulk water and also computed the average number of hydrogen bonds per water molecule. According to our experimental and theoretical results on time evolution of Raman OH stretching band of water, it can be inferred that the dissolved ions mainly influence hydrogen bond strength and structure of water molecules in the first hydration shell, the addition of lithium chloride primarily breaks the tetrahedral hydrogen bonding, promotes formation of the donor hydrogen bonding in water, and slightly increases the amount of free OH bonds. (C) 2015 Elsevier B.V. All rights reserved.
收录类别	SCI
语种	英语
公开日期	2016-05-09
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/28415]
专题	化学研究所_光化学实验室
作者单位	1.Chinese Acad Sci, Inst Chem, Key Lab Photochem, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China 2.Inst Phys, Zagreb 10000, Croatia
推荐引用方式 GB/T 7714	Zhu, Huaning,Li, Yang,Vdovic, Silvije,et al. Femtosecond coherent anti-Stokes Raman scattering spectroscopy of hydrogen bonded structure in water and aqueous solutions[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2015,151:262-273.
APA	Zhu, Huaning,Li, Yang,Vdovic, Silvije,Long, Saran,He, Guiying,&Guo, Qianjin.(2015).Femtosecond coherent anti-Stokes Raman scattering spectroscopy of hydrogen bonded structure in water and aqueous solutions.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,151,262-273.
MLA	Zhu, Huaning,et al."Femtosecond coherent anti-Stokes Raman scattering spectroscopy of hydrogen bonded structure in water and aqueous solutions".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 151(2015):262-273.