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  3. Superatomic-based Ion-π Interactions.
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  3. Superatomic-based Ion-π Interactions.

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Superatomic-Based Ion-π Interactions.

Xiaolin Ma1,2, Rui Li1,2, Weiyu Zhao1,2

  • 1Department of Physics, Capital Normal University, Beijing 100048, China.

The Journal of Physical Chemistry Letters
|May 5, 2026

View abstract on PubMed

Summary
This summary is machine-generated.

Superatomic-based ion-π interactions (S-IPIs) introduce artificial superatoms to expand tunable interactions, offering new possibilities for materials science and catalysis.

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Computational Chemistry

Background:

  • Atomic-based ion-π interactions (A-IPIs) are crucial in molecular recognition, catalysis, and materials assembly.
  • Limited elemental variety restricts the tunability of traditional A-IPIs.

Purpose of the Study:

  • To introduce and investigate superatomic-based ion-π interactions (S-IPIs) using superatoms instead of atoms.
  • To explore the potential of S-IPIs for expanding the scope of ion-π interactions.

Main Methods:

  • First-principles calculations were employed to study S-IPIs.
  • Superatoms were modeled interacting with graphene fragments as substrates.

Main Results:

  • Superatoms maintain structural stability and exhibit electronegativity-driven charge transfer in S-IPIs, analogous to A-IPIs.
  • Interaction strength and chemical reactivity of S-IPI complexes are tunable by modifying superatom type and electronic configuration.
  • S-IPIs effectively expand the traditional ion-π interaction paradigm.

    • Conclusions:

    • S-IPIs offer a novel approach to designing and tuning ion-π interactions.
    • This work paves the way for fundamental research and applications utilizing artificial elemental superatoms in ion-π systems.