PMID- 26142659
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20160503
LR  - 20150914
IS  - 1873-3557 (Electronic)
IS  - 1386-1425 (Linking)
VI  - 151
DP  - 2015 Dec 5
TI  - Femtosecond coherent anti-Stokes Raman scattering spectroscopy of hydrogen bonded 
      structure in water and aqueous solutions.
PG  - 262-73
LID - S1386-1425(15)30040-8 [pii]
LID - 10.1016/j.saa.2015.06.115 [doi]
AB  - Femtosecond coherent anti-Stokes Raman scattering (fsCARS) spectroscopy, together 
      with perturbation theory based numerical calculation, is employed to study OH 
      stretching (upsilonOH) of pure water and aqueous lithium chloride solutions. 
      Vibrational OH stretching (upsilonOH) 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.
CI  - Copyright (c) 2015 Elsevier B.V. All rights reserved.
FAU - Zhu, Huaning
AU  - Zhu H
AD  - Beijing National Laboratory for Molecular Sciences (BNLMS), Key Laboratory of 
      Photochemistry, Institute of Chemistry, Chinese Academy of Sciences, Beijing 
      100190, PR China.
FAU - Li, Yang
AU  - Li Y
AD  - Beijing National Laboratory for Molecular Sciences (BNLMS), Key Laboratory of 
      Photochemistry, Institute of Chemistry, Chinese Academy of Sciences, Beijing 
      100190, PR China.
FAU - Vdovic, Silvije
AU  - Vdovic S
AD  - Beijing National Laboratory for Molecular Sciences (BNLMS), Key Laboratory of 
      Photochemistry, Institute of Chemistry, Chinese Academy of Sciences, Beijing 
      100190, PR China; Institute of Physics, Bijenicka cesta 46, 10000 Zagreb, 
      Croatia.
FAU - Long, Saran
AU  - Long S
AD  - Beijing National Laboratory for Molecular Sciences (BNLMS), Key Laboratory of 
      Photochemistry, Institute of Chemistry, Chinese Academy of Sciences, Beijing 
      100190, PR China.
FAU - He, Guiying
AU  - He G
AD  - Beijing National Laboratory for Molecular Sciences (BNLMS), Key Laboratory of 
      Photochemistry, Institute of Chemistry, Chinese Academy of Sciences, Beijing 
      100190, PR China.
FAU - Guo, Qianjin
AU  - Guo Q
AD  - Beijing National Laboratory for Molecular Sciences (BNLMS), Key Laboratory of 
      Photochemistry, Institute of Chemistry, Chinese Academy of Sciences, Beijing 
      100190, PR China. Electronic address: guoqj@iccas.ac.cn.
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20150629
PL  - England
TA  - Spectrochim Acta A Mol Biomol Spectrosc
JT  - Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
JID - 9602533
OTO - NOTNLM
OT  - Coherent anti-Stokes Raman scattering
OT  - Hydrogen bonded structure
OT  - Molecular dynamics simulations
OT  - Perturbation theory based numerical calculation
EDAT- 2015/07/06 06:00
MHDA- 2015/07/06 06:01
CRDT- 2015/07/06 06:00
PHST- 2015/01/23 00:00 [received]
PHST- 2015/06/26 00:00 [revised]
PHST- 2015/06/27 00:00 [accepted]
PHST- 2015/07/06 06:00 [entrez]
PHST- 2015/07/06 06:00 [pubmed]
PHST- 2015/07/06 06:01 [medline]
AID - S1386-1425(15)30040-8 [pii]
AID - 10.1016/j.saa.2015.06.115 [doi]
PST - ppublish
SO  - Spectrochim Acta A Mol Biomol Spectrosc. 2015 Dec 5;151:262-73. doi: 
      10.1016/j.saa.2015.06.115. Epub 2015 Jun 29.