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March 14, 2026The Journal of Chemical Physics0 citations

Stoichiometric-like ion–dipole coordination saturation in an isolated polymer–ion system: Single-molecule force spectroscopy and theoretical insights

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YBYu BaoYWYuchen WangWYWentao Yuan

Key Points

  • This research aims to understand ion-dipole interactions in a polymer chain and how they achieve saturation with certain ion concentrations.
  • Utilized single-molecule force spectroscopy to study interactions between PMTFPS and AMIMCl.
  • Investigated stoichiometric relationships by varying the AMIMCl-to-PMTFPS molar ratio.
  • Calculated ion-dipole binding energy for the polymer-ion system.
  • Identified a saturated state at a 0.33:1 molar ratio of AMIMCl to PMTFPS.
  • Observed that one AMIMCl molecule can bridge two terminal trifluoropropyl groups.
  • Calculated binding energy of 9.32 ± 0.11 kJ/mol for ion-dipole interactions.

Abstract

Ion-dipole interactions are well defined in small-molecule systems, but in macromolecular systems, their behaviors remain insufficiently understood due to structural complexity and binding heterogeneity. Herein, the ion-dipole interactions between a single polytrifluoropropyl(methyl)siloxane (PMTFPS) chain and 1-allyl-3-methylimidazolium chloride (AMIMCl) have been systematically investigated using single-molecule force spectroscopy combined with complementary techniques. For the first time, the isolated polymer-ion system is shown to reach a state with stoichiometric-like saturated ion-dipole bridges at an AMIMCl-to-PMTFPS repeating unit molar ratio of 0.33:1, in which one AMIMCl molecule bridges the two terminal trifluoropropyl groups within each three-unit segment. Further increasing the AMIMCl content allows for additional association with the intermediate trifluoropropyl group, but steric and electrostatic constraints prevent the formation of new bridges. The ion-dipole binding energy is calculated to be 9.32 ± 0.11 kJ/mol. These results reveal the distinctive ion-dipole combining pattern of a single polymer chain under molecular confinement. This work is expected to bridge the gap between the well-defined binding behaviors of small-molecule systems and the complex landscape of bulk macromolecular systems, offering mechanistic insights into how ion-dipole interactions can be tuned within macromolecular materials.

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Cite This Study

Bao et al. (2026) studied this question.

synapsesocial.com/papers/69b4fb9db39f7826a300bf40https://doi.org/10.1063/5.0312162
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