Identifying multiple quantum coherence in ionic liquids

Yanan Li (New York University, United States)

LinkedIn: @Yanan Li; X: @YananLi12451

Abstract: Multiple-quantum NMR spectroscopy has long been employed to selectively isolate specific magnetization components. Here, we combined CRAZED and triple-quantum-filtered (TQF) experiments to investigate multiple quantum coherences in 1-butyl-3-methylimidazolium tetrafluoroborate (BMIM-BF4). This approach offers detailed insights into the ion dynamics and intermolecular interactions characteristic of ionic liquids.

  1. Kirill Sheberstov Avatar
    Kirill Sheberstov

    Hi, on slide 5, you show the dependence of the signal intensity on the angle θ. Which experimental parameters set up this angle? Another question: how many coupled spins are necessary to have to expect triple quantum coherence? And zero order coherence?

    1. Yanan Li Avatar
      Yanan Li

      For the first question,we control the angle θ by adjusting the relative amplitudes of gradients along y and z (Gz, Gy).
      For the second question, triple quantum coherence are required at least three coupled spins (like I1+I2+I3+ or I1-I2-I3-). Zero order coherences are formed with at least 2 spins (like I1+I2- or I1-I2+).

  2. Yunfan Qiu Avatar
    Yunfan Qiu

    Yanan,
    Thank you for your presentation. You clearly demonstrated intermolecular contributions to the quantum coherence. Since this is an ionic compound, does the contribution come from the cationic counterpart of BF₄ anion or from other ionic liquid species? Do you expect certain nuclei to contribute more significantly? Looking forward to your insights.

  3. Yanan Li Avatar
    Yanan Li

    Thank you for the good question! I would say that the observed intermolecular quantum coherences of 11B likely originate from interactions between the BF4 anion and both neighboring anions and cations (11B-1H, 11B -19F, 11B-11B). It is difficult to draw a conclusion from the standard CRAZED experiments, but I tend to favor 1H due to its higher magnetic separation ratio and natural abundance.

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