In situ elucidation of the formation mechanism of donor-acceptor complexes responsible for exciplex generation
- 1Department of Chemistry, National Taiwan University, Taipei, Taiwan
- 2National Taiwan Ocean University, Institute of Optoelectronic Sciences, Keelung, Taiwan
- 3Institute of Atomic and Molecular Science, Academia Sinica, Taipei, Taiwan
Abstract
Exciplex-forming systems offer tunable emission and dual emitter/host functionality in TADF OLEDs, yet their inherently amorphous nature obscures molecular-level structure–property relationships, hindering further application development. Herein, in situ techniques were applied for the first time to investigate the intermolecular interactions driving exciplex formation. NMR analyses revealed that the ubiquitous exciplex acceptor PO-T2T functions as a supramolecular host (H), encapsulating the carbazole-based donor ICzMe (G) in solution. Photophysical measurements confirmed that the PO-T2T/ICzMe complexes exhibit prominent thermally activated delayed fluorescence (TADF) characteristic of exciplex emission. Fluorescence titration and theoretical calculations indicated a stepwise complexation process: initial 1:1 (H:G) binding, followed by a 1:1:1 (H:G:H) sandwich-like arrangement. This growth mechanism was further corroborated by the cocrystal structure of PO-T2T/ICzMe, which revealed that PO-T2T adopts a claw-like geometry to form the sandwiched supramolecular complex. Moreover, NMR investigations across multiple PO-T2T-based exciplexes demonstrated that supramolecular interactions are a general driving force for exciplex formation.
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BibTeX
@article{lin2026situ,
title = {{In situ elucidation of the formation mechanism of donor-acceptor complexes responsible for exciplex generation}},
author = {Chun-Yen Lin and Winnie Wang and Allen Chu-Hsiang Hsu and Yi-Yun Chen and Chuan-Jing Lin and Rong-Huei Yi and Yi-Hung Liu and Chao-Hsien Hsu and Ying-Yi Tsai and Chieh-Ming Hung and Yu-Cheng Kung and Wen-Yi Hung and Pi-Tai Chou and Ken-Tsung Wong},
journal = {Communications Chemistry},
year = {2026},
month = jul,
doi = {10.1038/s42004-026-02124-1},
url = {https://doi.org/10.1038/s42004-026-02124-1},
note = {CC BY-NC-ND 4.0},
}
RIS
TY - JOUR
TI - In situ elucidation of the formation mechanism of donor-acceptor complexes responsible for exciplex generation
AU - Chun-Yen Lin
AU - Winnie Wang
AU - Allen Chu-Hsiang Hsu
AU - Yi-Yun Chen
AU - Chuan-Jing Lin
AU - Rong-Huei Yi
AU - Yi-Hung Liu
AU - Chao-Hsien Hsu
AU - Ying-Yi Tsai
AU - Chieh-Ming Hung
AU - Yu-Cheng Kung
AU - Wen-Yi Hung
AU - Pi-Tai Chou
AU - Ken-Tsung Wong
PY - 2026
DA - 2026/07/10
JO - Communications Chemistry
DO - 10.1038/s42004-026-02124-1
UR - https://doi.org/10.1038/s42004-026-02124-1
AB - Exciplex-forming systems offer tunable emission and dual emitter/host functionality in TADF OLEDs, yet their inherently amorphous nature obscures molecular-level structure–property relationships, hindering further application development. Herein, in situ techniques were applied for the first time to investigate the intermolecular interactions driving exciplex formation. NMR analyses revealed that the ubiquitous exciplex acceptor PO-T2T functions as a supramolecular host (H), encapsulating the carbazole-based donor ICzMe (G) in solution. Photophysical measurements confirmed that the PO-T2T/ICzMe complexes exhibit prominent thermally activated delayed fluorescence (TADF) characteristic of exciplex emission. Fluorescence titration and theoretical calculations indicated a stepwise complexation process: initial 1:1 (H:G) binding, followed by a 1:1:1 (H:G:H) sandwich-like arrangement. This growth mechanism was further corroborated by the cocrystal structure of PO-T2T/ICzMe, which revealed that PO-T2T adopts a claw-like geometry to form the sandwiched supramolecular complex. Moreover, NMR investigations across multiple PO-T2T-based exciplexes demonstrated that supramolecular interactions are a general driving force for exciplex formation.
SN - 2399-3669
ER -