@article{29935e4c2db5474eaf8e82b1159798b5,
title = "Organic Cage Inclusion Crystals Exhibiting Guest-enhanced Multiphoton Harvesting",
abstract = "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.",
keywords = "computational chemistry, crystal design, host-guest assemblies, materials chemistry, multiphoton absorption spectroscopy, organic cages, porous solids, supramolecular chemistry",
author = "Guo-Hong Ning and Peng Cui and Sazanovich, {Igor V.} and Pegg, {James T.} and Qiang Zhu and Zhongfu Pang and Rong-Jia Wei and Mike Towrie and Jelfs, {Kim E.} and Little, {Marc A.} and Cooper, {Andrew I.}",
note = "Funding Information: The authors gratefully acknowledge the Engineering and Physical Sciences Research Council (EP/H000925/1 and EP/P005543/1) and the European Research Council under FP7 (CoMMaD, ERC grant no. 758370) for financial support. K.E.J. is a Royal Society university Research Fellow. The authors thank the Science and Technology Facilities Council for access to Ultra at the Central Laser Facility (18130008) and Diamond Light Source for access to beamlines I19 (CY21726) and I11 (EE17193) that contributed to the results presented here. We thank Ms. Hui Gao for assistance during the multiple photon excited photoluminescence measurments. G.-H.N. gratefully acknowledges the Department of Science and Technology of Guangdong Province through the Guangdong Basic and Applied Basic Research Foundation (2019B151502024), the Department of Education of Guangdong Province through the Province Pearl River Scholar Funded Scheme (2019), and the Ministry of Education, China, through the Fundamental Research Funds for Central Universities (21619315) for financial support. G.-H.N. M.A.L. and A.I.C. conceived the project. G.-H. N. and Q.Z. prepared the cage molecules and crystallized organic co-crystals. G.-H. N. M.A.L. P.C. Q.Z. and R.-J.W. performed the single X-ray measurement and interpreted the experimental data. Z.P. J.T.P. and K.E.J. calculated the cavity and the volume of guests. G.-H. N. M.A.L. I.V.S. and M.T. conducted the multiple photon excited photoluminescence measurement and interpreted the spectroscopic data. All authors contributed to the preparation of the manuscript. The authors declare no competing interests. Funding Information: The authors gratefully acknowledge the Engineering and Physical Sciences Research Council ( EP/H000925/1 and EP/P005543/1 ) and the European Research Council under FP7 (CoMMaD, ERC grant no. 758370 ) for financial support. K.E.J. is a Royal Society university Research Fellow. The authors thank the Science and Technology Facilities Council for access to Ultra at the Central Laser Facility (18130008) and Diamond Light Source for access to beamlines I19 (CY21726) and I11 (EE17193) that contributed to the results presented here. We thank Ms. Hui Gao for assistance during the multiple photon excited photoluminescence measurments. G.-H.N. gratefully acknowledges the Department of Science and Technology of Guangdong Province through the Guangdong Basic and Applied Basic Research Foundation ( 2019B151502024 ), the Department of Education of Guangdong Province through the Province Pearl River Scholar Funded Scheme (2019), and the Ministry of Education, China , through the Fundamental Research Funds for Central Universities ( 21619315 ) for financial support. Publisher Copyright: {\textcopyright} 2021",
year = "2021",
month = nov,
day = "11",
doi = "10.1016/j.chempr.2021.09.016",
language = "English",
volume = "7",
pages = "3157--3170",
journal = "Chem",
issn = "2451-9308",
publisher = "Elsevier",
number = "11",
}
