Flexible decapyrrylcorannulene hosts

Yun-Yan Xu, Han-Rui Tian, Shu-Hui Li, Zuo-Chang Chen, Yang-Rong Yao, Shan-Shan Wang, Xin Zhang, Zheng-Zhong Zhu, Shun-Liu Deng, Qianyan Zhang (), Shangfeng Yang (), Su-Yuan Xie (), Rong-Bin Huang and Lan-Sun Zheng
Additional contact information
Yun-Yan Xu: Xiamen University
Han-Rui Tian: Xiamen University
Shu-Hui Li: Xiamen University
Zuo-Chang Chen: Xiamen University
Yang-Rong Yao: Xiamen University
Shan-Shan Wang: Xiamen University
Xin Zhang: Xiamen University
Zheng-Zhong Zhu: Xiamen University
Shun-Liu Deng: Xiamen University
Qianyan Zhang: Xiamen University
Shangfeng Yang: University of Science and Technology of China
Su-Yuan Xie: Xiamen University
Rong-Bin Huang: Xiamen University
Lan-Sun Zheng: Xiamen University

Nature Communications, 2019, vol. 10, issue 1, 1-9

Abstract: Abstract The assembly of spherical fullerenes, or buckyballs, into single crystals for crystallographic identification often suffers from disordered arrangement. Here we show a chiral configuration of decapyrrylcorannulene that has a concave ‘palm’ of corannulene and ten flexible electron-rich pyrryl group ‘fingers’ to mimic the smart molecular ‘hands’ for self-adaptably cradling various buckyballs in a (+)hand-ball-hand(−) mode. As exemplified by crystallographic identification of 15 buckyball structures representing pristine, exohedral, endohedral, dimeric and hetero-derivatization, the pyrryl groups twist with varying dihedral angles to adjust the interaction between decapyrrylcorannulene and fullerene. The self-adaptable electron-rich pyrryl groups, susceptible to methylation, are theoretically revealed to contribute more than the bowl-shaped palm of the corannulene in holding buckyball structures. The generality of the present decapyrrylcorannulene host with flexible pyrryl groups facilitates the visualization of numerous unknown/unsolved fullerenes by crystallography and the assembly of the otherwise close-packed spherical fullerenes into two-dimensional layered structures by intercalation.

Date: 2019
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DOI: 10.1038/s41467-019-08343-6

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