title: Low frequency 2D Raman-THz spectroscopy of ionic solution: A simulation study.
abstract: The 2D Raman-THz spectrum of the MgCl2 solution was simulated using the molecular dynamics simulation and the stability matrix method and compared with that of the pure water. The 2D Raman-THz signal provides more information on the ion effects on the collective water motion than the conventional 1D signal. The presence of MgCl2 suppresses the cross peak of water between the hydrogen bond bending and the other intermolecular vibrational mode, which clearly illustrates that the water hydrogen bending motion is affected by the confining effect of the ions. Our theoretical work thus demonstrates that the 2D Raman-THz technique can become a valuable nonlinear vibrational probe for the molecular dynamics in the ionic solutions.
authors.affiliation: Department of Chemical Physics, University of Science and Technology of China, Hefei 230026, China.
authors.forename: Zhijun
authors.initials: Z
authors.lastname: Pan
authors.affiliation: Department of Chemical Physics, University of Science and Technology of China, Hefei 230026, China.
authors.forename: Tianmin
authors.initials: T
authors.lastname: Wu
authors.affiliation: State Key Lab of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China.
authors.forename: Tan
authors.initials: T
authors.lastname: Jin
authors.affiliation: State Key Lab of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China.
authors.forename: Yong
authors.initials: Y
authors.lastname: Liu
authors.affiliation: Department for Molecular Spectroscopy, Max-Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany.
authors.forename: Yuki
authors.initials: Y
authors.lastname: Nagata
authors.affiliation: State Key Lab of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China.
authors.forename: Ruiting
authors.initials: R
authors.lastname: Zhang
authors.affiliation: State Key Lab of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China.
authors.forename: Wei
authors.initials: W
authors.lastname: Zhuang