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NUMBER  
AUTHOR Kim, Hyung J.
TITLE Synthesis, conductivity, and vibrational spectroscopy of tetraphenylphosphonium bis(trifluoromethanesulfonyl)imide
ARCHIVE  
FILE  
JOURNAL JOURNAL OF MOLECULAR STRUCTURE, 2017
ABSTRACT The reaction of lithium bis(trifluoromethanesulfonyl)imide with tetraphenylphosphonium bromide in water leads to the formation of tetraphenylphosphonium bis(trifluoromethanesulfonyl)imide ([PPh4+] [(CF3SO2)(2)N-]). The obtained compound was identified'by means of H-1, C-13,F-19 and P-31 NMR spectroscopy. Although it has a structure similar to ionic liquids, it exhibits a melting point above 100 degrees C. Besides describing the synthesis, a detailed characterization of its conductivity and vibrational spectroscopic properties is presented. For the latter, FT-Raman and FTIR/ATR spectroscopies are used in the wave number range from 150 to 3500 cm(-1) and from 600 to 3500 cm(-1), respectively. Density functional theory calculations reveal a minor influence of the interionic interactions on the vibrational structure. Consequently, the computational vibrational spectra of the isolated ions show a good agreement with the experimental data. A detailed vibrational assignment is presented. Furthermore, the conductivity data indicate a solid-solid phase transition about 130 K below the melting point. (C) 2017 Elsevier B.V. All rights reserved.
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