Thermally-induced atropisomerism promotes metal-organic cage construction

Jiaqi Liang, Shuai Lu, Yang Yang, Yun-Jia Shen, Jin-Ku Bai, Xin Sun, Xu-Lang Chen, Jie Cui, Ai-Jiao Guan, Jun-Feng Xiang, Xiaopeng Li, Heng Wang (), Yu-Dong Yang () and Han-Yuan Gong ()
Additional contact information
Jiaqi Liang: Beijing Normal University
Shuai Lu: Shenzhen University
Yang Yang: Beijing Normal University
Yun-Jia Shen: Beijing Normal University
Jin-Ku Bai: Beijing Normal University
Xin Sun: Beijing Normal University
Xu-Lang Chen: Hubei Normal University
Jie Cui: Institute of Chemistry Chinese Academy of Sciences
Ai-Jiao Guan: Institute of Chemistry Chinese Academy of Sciences
Jun-Feng Xiang: Institute of Chemistry Chinese Academy of Sciences
Xiaopeng Li: Shenzhen University
Heng Wang: Shenzhen University
Yu-Dong Yang: Beijing Normal University
Han-Yuan Gong: Beijing Normal University

Nature Communications, 2023, vol. 14, issue 1, 1-12

Abstract: Abstract Molecular folding regulation with environmental stimuli is critical in living and artificial molecular machine systems. Herein, we described a macrocycle, cyclo[4] (1,3-(4,6-dimethyl)benzene)[4](1,3-(4,6-dimethyl)benzene)(4-pyridine). Under 298 K, it has three stable stiff atropisomers with names as 1 (Cs symmetry), 2 (Cs symmetry), and 3 (C4v symmetry). At 393 K, 1 can reversibly transform into 2, but at 473 K, it can irrevocably transform into 3. At 338 K, 3 and (PhCN)2PdCl2 complex to produce the metal-organic cage 4. Only at 338 K does the combination of 1 or 2 and (PhCN)2PdCl2 create a gel-like structure. Heating both gels to 473 K transforms them into 4. In addition to offering a thermally accelerated method for modifying self-assembled systems using macrocyclic building blocks, this study also has the potential to develop the nanoscale transformation material with a thermal response.

Date: 2023
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DOI: 10.1038/s41467-023-43756-4

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