Nonlinear vibrational spectroscopic studies on waterlionic liquid([C(n)mim]TFSA: n = 4, 8) interfaces
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Updated: May 23, 2026

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
Published on: May 27, 2018
Takashi Iwahashi1, Yasunari Sakai, Doseok Kim
1Department of Chemistry, Graduate School of Science, Nagoya University, Nagoya, 464-8602, Japan.
Abstract:
The interfaces of water/room temperature ionic liquids (RTIL) (1-alkyl-3-methyl imidazolium bis(trifluoromethylsulfonyl)amide ([C(n)mim]TFSA): n = 4, 8) are investigated by infrared-visible sum frequency generation (IV-SFG) vibrational spectroscopy and molecular dynamics (MD) simulation. SFG spectra taken within the SO stretch region drastically differ between air/RTIL and water/RTIL interfaces. When a RTIL surface is in contact with water, a broadened and blue-shifted SO2-ss mode peak is observed in the SFG spectra, indicating an inhomogeneous intermolecular interaction due to hydrogen bonding of the [TFSA]- anions and water molecules at the water/[C(n)mim]TFSA interface. MD simulations show the SO2 groups of the anion are preferentially orientated toward the water phase, which is consistent with the SFG spectral features. Polar orientation of the [TFSA] anion originates from the ordered structure of the alkyl chains of [C(n)mim]+ cations.
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