Organic Cage Inclusion Crystals Exhibiting Guest-enhanced Multiphoton Harvesting

Guo-Hong Ning*, Peng Cui, Igor V. Sazanovich, James T. Pegg, Qiang Zhu, Zhongfu Pang, Rong-Jia Wei, Mike Towrie, Kim E. Jelfs, Marc A. Little*, Andrew I. Cooper*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)
1 Downloads (Pure)


Host-guest complexation is an important supramolecular route to materials. Clear design rules have been developed for complexation in solution. This has proved more challenging for solid-state host-guest co-crystals because they often exhibit polymorphism, leading many researchers to focus instead on bonded frameworks, such as metal-organic frameworks. Here, we report an anthracene-based organic cage (1) that forms isoskeletal host-guest co-crystals with five similarly sized solid organic guests. The co-crystals were designed using inexpensive computational methods to identify appropriate guests that have packing coefficients (PCs) ranging from 44% to 50%, coupled with consideration of the guest shape. By complexing highly emissive BODIPY guests into the host structure, we enhanced its two-photon excited photoluminescent properties by a factor of six. Our crystal design approach was also transferrable to hard-to-design ternary organic crystals that were accessed by inserting specific guests into different sized voids in the host.

Original languageEnglish
Pages (from-to)3157-3170
Number of pages14
Issue number11
Early online date26 Oct 2021
Publication statusPublished - 11 Nov 2021


  • computational chemistry
  • crystal design
  • host-guest assemblies
  • materials chemistry
  • multiphoton absorption spectroscopy
  • organic cages
  • porous solids
  • supramolecular chemistry

ASJC Scopus subject areas

  • Chemistry(all)
  • Biochemistry
  • Environmental Chemistry
  • Chemical Engineering(all)
  • Biochemistry, medical
  • Materials Chemistry


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