Inclusion co-crystals based on Tröger's base molecular box for thermally activated delayed fluorescence.

Yuan Wang, Kun Liu, Ya Li, Zhe Zheng, Yuna Shang, Bin Li, Hongming He, Chunju Li

Abstract read

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Article in Nature communications, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 · Who and what money

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8 authors.

Yuan WangAcademy of Interdisciplinary Studies on Intelligent Molecules, Interdisciplinary Research Center, Tianjin Key Laboratory of Structure and Performance for Functional Molecules, College of Chemistry, Tianjin Normal University, Tianjin, P. R. China.

Kun LiuAcademy of Interdisciplinary Studies on Intelligent Molecules, Interdisciplinary Research Center, Tianjin Key Laboratory of Structure and Performance for Functional Molecules, College of Chemistry, Tianjin Normal University, Tianjin, P. R. China.

Ya LiAcademy of Interdisciplinary Studies on Intelligent Molecules, Interdisciplinary Research Center, Tianjin Key Laboratory of Structure and Performance for Functional Molecules, College of Chemistry, Tianjin Normal University, Tianjin, P. R. China.

Zhe ZhengAcademy of Interdisciplinary Studies on Intelligent Molecules, Interdisciplinary Research Center, Tianjin Key Laboratory of Structure and Performance for Functional Molecules, College of Chemistry, Tianjin Normal University, Tianjin, P. R. China.

Yuna ShangAcademy of Interdisciplinary Studies on Intelligent Molecules, Interdisciplinary Research Center, Tianjin Key Laboratory of Structure and Performance for Functional Molecules, College of Chemistry, Tianjin Normal University, Tianjin, P. R. China.

Bin LiAcademy of Interdisciplinary Studies on Intelligent Molecules, Interdisciplinary Research Center, Tianjin Key Laboratory of Structure and Performance for Functional Molecules, College of Chemistry, Tianjin Normal University, Tianjin, P. R. China. bli@tjnu.edu.cn.ORCID http://orcid.org/0000-0001-5448-4096

Hongming HeAcademy of Interdisciplinary Studies on Intelligent Molecules, Interdisciplinary Research Center, Tianjin Key Laboratory of Structure and Performance for Functional Molecules, College of Chemistry, Tianjin Normal University, Tianjin, P. R. China. hxxyhhm@tjnu.edu.cn.ORCID http://orcid.org/0000-0001-5535-8825

Chunju LiAcademy of Interdisciplinary Studies on Intelligent Molecules, Interdisciplinary Research Center, Tianjin Key Laboratory of Structure and Performance for Functional Molecules, College of Chemistry, Tianjin Normal University, Tianjin, P. R. China. cjli@shu.edu.cn.ORCID http://orcid.org/0000-0001-7450-4867

Funding

National Natural Science Foundation of China (National Science Foundation of China) 22201213National Natural Science Foundation of China (National Science Foundation of China) 22301218National Natural Science Foundation of China (National Science Foundation of China) 22571233Natural Science Foundation of Tianjin City (Natural Science Foundation of Tianjin) 23JCZDJC00660Natural Science Foundation of Tianjin City (Natural Science Foundation of Tianjin) 25JCQNJC00500

6 · The paper itself

Abstract

Designing thermally activated delayed fluorescence (TADF) emitters via a non-covalent through-space charge transfer (TSCT) is challenging, requiring a delicate balance between molecular geometries and electronic states. Herein, we present an inclusion co-crystal (ICC) strategy to achieve efficient TADF using non-covalent TSCT approach by supramolecularly engineered molecular box-based confined environments that provide sufficient binding ability to aromatic guests. Tröger's base-derived molecular boxes (TB[2]) incorporating mesomeric (meso-TB[2]) and racemic (race-TB[2]) species are designed as electron-rich hosts, which can selectively encapsulate 1,3,5-benzenetricarbonitrile (BTN) and 1,2,4,5-tetra-cyanobenzene (TCNB) among six electron-withdrawing cyanobenzenes, forming three 1:1 binary inclusion CT co-crystals through the synergism of multiple non-covalent interactions. The BTN@meso-TB[2] and BTN@race-TB[2] co-crystals exhibit tunable yellow-green and bright cyan TADF emission due to strong host-guest complexation and weak TSCT interactions. Conversely, TCNB@meso-TB[2] is almost no luminescent as the strong intermolecular CT interaction promotes nonradiative decay processes. The present work offers an efficient strategy for designing TADF emitters by balancing the strength of CT and host-guest complexation.

Identifiers

PMID42722655

DOI10.1038/s41467-026-76270-4

PMCPMC13562523

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.