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@ARTICLE{Chen:908769,
      author       = {Chen, Yingzhen and Endres, Manuel B. and Giffin, Jürgen
                      and Korte, Carsten},
      title        = {{I}nvestigation of the protolytic equilibrium of a highly
                      {B}rønsted acidic ionic liquid and residual water using
                      {R}aman spectroscopy},
      journal      = {Journal of molecular liquids},
      volume       = {345},
      issn         = {0167-7322},
      address      = {New York, NY [u.a.]},
      publisher    = {Elsevier},
      reportid     = {FZJ-2022-02825},
      pages        = {117796 -},
      year         = {2022},
      abstract     = {Protic ionic liquids (PILs) are promising candidates as
                      non-aqueous proton-conducting electrolytes for use in
                      polymer electrolyte membrane fuel cells with operating
                      temperatures over 100 °C. 2-sulfoethylammonium triflate
                      [2-Sea][TfO] is one such PIL electrolyte, in which the
                      highly Brønsted acidic sulfoalkylammonium cations act as
                      mobile protonic charge carriers and proton donors. In order
                      to gain a molecular-level understanding of proton transfer
                      in a PIL electrolyte containing a small amount of residual
                      water from fuel cell operation, the protolytic equilibrium
                      of the highly acidic cation was investigated by means of
                      Raman spectroscopy. Density functional theory (DFT)
                      calculations were conducted to identify the vibration modes
                      sensitive to protonation and to gain information on the
                      possible conformation of the cation. The deprotonation of
                      the 2-sulfoethylammonium cation resulted in a characteristic
                      upward frequency shift in the ν(SC) stretching vibration.
                      An equilibrium constant of 0.23 ± 0.09 was calculated for
                      the protolytic reaction, indicating [2-Sea][TfO] as a
                      promising proton donor for the fuel cell application.},
      cin          = {IEK-14},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IEK-14-20191129},
      pnm          = {1231 - Electrochemistry for Hydrogen (POF4-123)},
      pid          = {G:(DE-HGF)POF4-1231},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000713883900016},
      doi          = {10.1016/j.molliq.2021.117796},
      url          = {https://juser.fz-juelich.de/record/908769},
}