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Organic cage inclusion crystals exhibiting guest-enhanced multiphoton harvesting
Chem  (IF22.804),  Pub Date : 2021-10-26, DOI: 10.1016/j.chempr.2021.09.016
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

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.