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

Chunguang Zhai,Bertil Sundqvist,Xiu Yin,Bingbing Liu,Jiajun Dong,Yuchen Shang,Shuhe Hu,Mingguang Yao,Quanjun Li,Shifeng Niu,Zhigang Wang

doi:10.1038/s41467-021-24381-5

Chunguang Zhai, Bertil Sundqvist + Show 9 more

Open Access

https://doi.org/10.1038/s41467-021-24381-5

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Journal: Nature Communications	Publication Date: Jul 2, 2021
Citations: 47	License type: open-access

Affiliation: Jilin University, Umeå University

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.

Highlights

Developing a universal strategy to design piezochromic luminescent materials with desirable properties remains challenging
Our results show that molecular insertion can modify and control the interactions between donor and acceptor in a cocrystal
To examine if this strategy is universal for constructing new piezochromic luminescent materials, some other molecules, such as 1,4-dioxane, pyridine, m-xylene, CCl4, benzene, and toluene have been studied

Summary

Introduction

Developing a universal strategy to design piezochromic luminescent materials with desirable properties remains challenging. Most of the IR peaks of PTCs were gradually blue-shifted and broadening (Fig. 4b), showing a common pressure evolution as observed in other molecular crystals[25,35,36].

Results

Conclusion