A contorted nanographene shelter

Huang Wu, Yu Wang, Bo Song, Hui-Juan Wang, Jiawang Zhou, Yixun Sun, Leighton O. Jones, Wenqi Liu, Long Zhang, Xuan Zhang, Kang Cai, Xiao-Yang Chen, Charlotte L. Stern, Junfa Wei, Omar K. Farha, Jessica M. Anna, George C. Schatz, Yu Liu () and J. Fraser Stoddart ()
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Huang Wu: Northwestern University
Yu Wang: Northwestern University
Bo Song: Northwestern University
Hui-Juan Wang: Nankai University
Jiawang Zhou: University of Pennsylvania
Yixun Sun: Shaanxi Normal University
Leighton O. Jones: Northwestern University
Wenqi Liu: Northwestern University
Long Zhang: Northwestern University
Xuan Zhang: Northwestern University
Kang Cai: Nankai University
Xiao-Yang Chen: Northwestern University
Charlotte L. Stern: Northwestern University
Junfa Wei: Shaanxi Normal University
Omar K. Farha: Northwestern University
Jessica M. Anna: University of Pennsylvania
George C. Schatz: Northwestern University
Yu Liu: Nankai University
J. Fraser Stoddart: Northwestern University

Nature Communications, 2021, vol. 12, issue 1, 1-13

Abstract: Abstract Nanographenes have kindled considerable interest in the fields of materials science and supramolecular chemistry as a result of their unique self-assembling and optoelectronic properties. Encapsulating the contorted nanographenes inside artificial receptors, however, remains challenging. Herein, we report the design and synthesis of a trigonal prismatic hexacationic cage, which has a large cavity and adopts a relatively flexible conformation. It serves as a receptor, not only for planar coronene, but also for contorted nanographene derivatives with diameters of approximately 15 Å and thicknesses of 7 Å. A comprehensive investigation of the host-guest interactions in the solid, solution and gaseous states by experimentation and theoretical calculations reveals collectively an induced-fit binding mechanism with high binding affinities between the cage and the nanographenes. Notably, the photostability of the nanographenes is improved significantly by the ultrafast deactivation of their excited states within the cage. Encapsulating the contorted nanographenes inside the cage provides a noncovalent strategy for regulating their photoreactivity.

Date: 2021
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DOI: 10.1038/s41467-021-25255-6

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