A contorted nanographene shelter

Wu, Huang; Wang, Yu; Song, Bo; Wang, Hui-Juan; Zhou, Jiawang; Sun, Yixun; Jones, Leighton O.; Liu, Wenqi; Zhang, Long; Zhang, Xuan; Cai, Kang; Chen, Xiao-Yang; Stern, Charlotte L.; Wei, Junfa; Farha, Omar K.; Anna, Jessica M.; Schatz, George C.; Liu, Yu; Fraser Stoddart, J.

doi:10.1038/s41467-021-25255-6

Title: A contorted nanographene shelter

Journal Article · 31 August 2021 · Nature Communications

DOI: https://doi.org/10.1038/s41467-021-25255-6 · OSTI ID:1853771

^[1];

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^[2]; Wang, Hui-Juan ^[3]; Zhou, Jiawang ^[4]; Sun, Yixun ^[5];

^[2]; Liu, Wenqi ^[2];

^[2]; Zhang, Xuan ^[2]; Cai, Kang ^[3];

^[2];

^[2]; Wei, Junfa ^[5]; Farha, Omar K. ^[2];

^[4];

^[2];

^[6];

^[7]

Northwestern Univ., Evanston, IL (United States); Northwestern Univ., Evanston, IL (United States)
Northwestern Univ., Evanston, IL (United States)
Nankai Univ., Tianjin (China)
Univ. of Pennsylvania, Philadelphia, PA (United States)
Shaanxi Univ., Xi an (China)
Nankai Univ., Tianjin (China); Collaborative Innovation Center of Chemical Science and Engineering, Tianjin (China)
Northwestern Univ., Evanston, IL (United States); Univ. of New South Wales, Sydney, NSW (Australia); Zhejiang Univ., Hangzhou (China); ZJU-Hangzhou Global Scientific and Technological Innovation Center, Hangzhou (China)

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.

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Research Organization:: Northwestern Univ., Evanston, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC); National Science Foundation (NSF); Northwestern University; Defense Threat Reduction Agency (DTRA)

Grant/Contract Number:: SC0021314

OSTI ID:: 1853771

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 12; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Title: A contorted nanographene shelter

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