Molecular insertion regulates the donor-acceptor interactions in cocrystals for the design of piezochromic luminescent materials

Chunguang Zhai, Xiu Yin, Shifeng Niu, Mingguang Yao (), Shuhe Hu, Jiajun Dong, Yuchen Shang, Zhigang Wang, Quanjun Li, Bertil Sundqvist and Bingbing Liu ()
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Chunguang Zhai: Jilin University
Xiu Yin: Jilin University
Shifeng Niu: Jilin University
Mingguang Yao: Jilin University
Shuhe Hu: Jilin University
Jiajun Dong: Jilin University
Yuchen Shang: Jilin University
Zhigang Wang: Institute of Atomic and Molecular Physics, Jilin University
Quanjun Li: Jilin University
Bertil Sundqvist: Jilin University
Bingbing Liu: Jilin University

Nature Communications, 2021, vol. 12, issue 1, 1-9

Abstract: Abstract Developing a universal strategy to design piezochromic luminescent materials with desirable properties remains challenging. Here, we report that insertion of a non-emissive molecule into a donor (perylene) and acceptor (1,2,4,5-tetracyanobezene) binary cocrystal can realize fine manipulation of intermolecular interactions between perylene and 1,2,4,5-tetracyanobezene (TCNB) for desirable piezochromic luminescent properties. A continuous pressure-induced emission enhancement up to 3 GPa and a blue shift from 655 to 619 nm have been observed in perylene-TCNB cocrystals upon THF insertion, in contrast to the red-shifted and quenched emission observed when compressing perylene-TCNB cocrystals and other cocrystals reported earlier. By combining experiment with theory, it is further revealed that the inserted non-emissive THF forms blue-shifting hydrogen bonds with neighboring TCNB molecules and promote a conformation change of perylene molecules upon compression, causing the blue-shifted and enhanced emission. This strategy remains valid when inserting other molecules as non-emissive component into perylene-TCNB cocrystals for abnormal piezochromic luminescent behaviors.

Date: 2021
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DOI: 10.1038/s41467-021-24381-5

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