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Local structure and molecular motions in imidazolium hydrogen malonate crystal as studied by 2H and 13C NMR

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Abstract

The local structure and molecular motion of the imidazolium hydrogen malonate crystal were investigated using solid-state 2H and 13C NMR. The imidazolium ion undergoes isotropic rotation, which is correlated with a defect in the crystal, as observed by 2H NMR broadline spectra above 263 K. A 180∘ flip of the imidazolium ion in the regular site was observed from 2H NMR quadrupole Carr-Purcell-Meiboom-Gill (QCPMG) spectra. The Grotthuss mechanism was accompanied by a 180∘ flip of the imidazolium ion in regular sites. Moreover, the proton transfer associated with the imidazolium ion of the defective crystal is important for proton conductivity of the imidazolium hydrogen malonate crystal.

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Authors and Affiliations

  1. Department of Chemistry, Graduate School of Natural Science & Technology, Kanazawa University, Kakuma, Kanazawa, Ishikawa, 920-1192, Japan

    M. Mizuno, M. Chizuwa, T. Umiyama, Y. Kumagai, T. Miyatou, R. Ohashi & T. Ida

  2. CREST, Japan Science and Technology Agency (JST), 4-1-8 Honcho, Kawaguchi, Saitama, 332-0012, Japan

    M. Mizuno & R. Ohashi

  3. National Institute for Materials Science, 3-13 Sakura, Tsukuba, Ibaraki, 305-0003, Japan

    M. Tansho & T. Shimizu

Authors
  1. M. Mizuno
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  2. M. Chizuwa
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  3. T. Umiyama
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  4. Y. Kumagai
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  5. T. Miyatou
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  6. R. Ohashi
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  7. T. Ida
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  8. M. Tansho
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  9. T. Shimizu
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Corresponding author

Correspondence to M. Mizuno.

Additional information

Proceedings of the 5th Joint International Conference on Hyperfine Interactions and International Symposium on Nuclear Quadrupole Interactions (HFI/NQI 2014), Canberra, Australia, 21-26 September 2014

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Mizuno, M., Chizuwa, M., Umiyama, T. et al. Local structure and molecular motions in imidazolium hydrogen malonate crystal as studied by 2H and 13C NMR. Hyperfine Interact 230, 95–100 (2015). https://doi.org/10.1007/s10751-014-1081-0

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  • DOI: https://doi.org/10.1007/s10751-014-1081-0

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