Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Influence of LiTFSI Addition on Conductivity, Diffusion Coefficient, Spin Lattice Relaxation Times, and Chemical Shift of One-Dimensional NMR Spectroscopy in LiTFSI-Doped Dual-Functionalized Imidazolium-Based Ionic Liquids

Wu, T.-Y.[Tzi-Yi], Wang, Y.-H.[Yi-Hsuan], Su, S.-G.[Shyh-Gang], Lin, Y.-C.[Yuan-Chung], Kuo, C.-W.[Chung-Wen], Chang, J.-K.[Jeng-Kuei], Sun, I.-W.[I-Wen]
J. Chem. Eng. Data 2015, 60, 3, 471-483
ABSTRACT
An ionic liquid (IL) 1-allyl-3-(2-methoxyethyl)imidazolium bis(trifluoromethylsulfonyl)imide ([AMO][TFSI]) is prepared, and the effect of the addition of LiTFSI into [AMO][TFSI] on the transport and physicochemical properties is studied herein. The diffusion coefficients of 1H, 7Li, and 19F are determined using pulsed-gradient spin echo NMR to study the dynamics of all ion species. The neat [AMO][TFSI] and LiTFSI-doped [AMO][TFSI] give approximately straight lines for the relationship of D vs T? 1, demonstrating that the Stokes Einstein equation holds for the ionic diffusivity in the binary system. NMR T1 relation time measurements show the 1H-T1 and 19F-T1 of LiTFSI-doped [AMO][TFSI] decrease with the increase of Li salt concentration, which is due to the viscosity increases and the formation of stable coordination adducts of Li and TFSI when the salt concentration increases. From the study of chemical shift in one-dimensional NMR spectroscopy, an upfield shift in 1H and 19F spectra is observed in ILs with increasing lithium salt concentration; the formation of ion clusters is the dominant effect after the addition of LiTFSI in [AMO][TFSI].
Compounds
# Formula Name
1 C2F6LiNO4S2 lithium bis((trifluoromethyl)sulfonyl)amide
2 C11H15F6N3O5S2 1-allyl-3-(2-methoxyethyl)-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 10
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 10
  • POMD
  • 2
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • conductivity meter LF 340 and a standard conductivity cell TetraCon
  • 10
  • POMD
  • 1
  • 2
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 60
  • POMD
  • 1
  • 2
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 60
  • POMD
  • 1
  • 2
  • Electrical conductivity, S/m ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • conductivity meter LF 340 and a standard conductivity cell TetraCon
  • 60