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February 20, 2026Journal of the American Chemical Society14 citations

Achiral Guest-Modulated Circularly Polarized Luminescence of Chiral Macrocycles by Host–Guest Encapsulation

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GSGuang SunCSChenchen ShenWWWen-Ting Wu

Key Points

  • This research aims to develop strategies for modulating circularly polarized luminescence (CPL) of chiral macrocycles.
  • Utilized host–guest complexation to adjust CPL properties of chiral macrocycles.
  • Performed single crystal X-ray diffraction analyses to study host–guest interactions.
  • Conducted theoretical calculations to support findings on charge transfer mechanisms.
  • CPL properties were successfully modulated from blue to purple depending on the guest's electronic nature.
  • Encapsulation of specific guests induced through-space charge transfer, affecting luminescence emission.
  • The energy gaps between HOMO and LUMO in host–guest complexes were tunable based on guest selection.

Abstract

Developing concise strategies to modulate circularly polarized luminescence (CPL) remains a significant challenge. In this study, we present a host–guest complexation approach to fine-tune the CPL properties of chiral macrocycles. The luminescence of the chiral macrocyclic hosts R / S -BINOL2 can be modulated from blue to cyan, green, red, and purple via complexation with achiral guests, enabling guest-based regulation of their luminescence features. Single crystal X-ray diffraction analyses of the host–guest complexes coupled with theoretical calculations provide support for the inference that encapsulation of electron-deficient guests by the electron-rich R / S -BINOL2 hosts induces through-space charge transfer that is mediated by multiple noncovalent interactions, particularly lone-pair−π interactions. The highest occupied molecular orbital (HOMO)–lowest unoccupied molecular orbital (LUMO) energy gaps of the host–guest complexes can be tuned by varying the electronic nature of the guests, which translates to differences in the observed emission. This work provides a novel approach to the construction and modulation of CPL-active materials.

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Cite This Study

Sun et al. (2026) studied this question.

synapsesocial.com/papers/6997b911baf9c852d8c25e60https://doi.org/10.1021/jacs.5c20599
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