Construction of D-π-A Emitters with High Molar Extinction Coefficient via Two-state Resonance

doi:10.1007/s40242-026-6132-y

Chemical Research in Chinese Universities ›› 2026, Vol. 42 ›› Issue (4): 1295-1300.doi: 10.1007/s40242-026-6132-y

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Construction of D-π-A Emitters with High Molar Extinction Coefficient via Two-state Resonance

WANG Xinyu, GAN Hanlin, LEI Jinpu, LIN Ling, LIU Jiangbo, WEN Donghao, TAN Wenle, WANG Bohan, YU Yue, MA Yuguang

Guangdong Basic Research Center of Excellence for Energy and Information Polymer Materials, State Key Laboratory of Luminescent Materials and Device, South China University of Technology, Guangzhou 510640, P. R. China

Received:2026-06-05 Revised:2026-07-03 Online:2026-08-01 Published:2026-07-28
Contact: YU Yue,E-mail:yuyue924@scut.edu.cn;MA Yuguang,E-mail:ygma@scut.edu.cn E-mail:yuyue924@scut.edu.cn;ygma@scut.edu.cn
Supported by:
This work was supported by the National Natural Science Foundation of China (Nos. 52503365, 92463310), the Guangdong Basic and Applied Basic Research Foundation, China (No. 2024A1515110241), and the Fundamental Research Funds of the State Key Laboratory of Luminescent Materials and Devices, China (Nos. Skllmd-2025-14 and Skllmd-2026-09).

Abstract

Abstract: The molar extinction coefficient (ε) is a fundamental physical parameter for optoelectronic molecules, critically determining the energy conversion efficiencies of corresponding devices. Benefiting from strong intramolecular resonance enabled by donor-acceptor (D-A) structural modulation, merocyanine dyes are capable of delivering large ε at relatively low molecular weights. Such resonance originates from the equilibrium between neutral and zwitterionic resonance forms, whose magnitude can be quantitatively evaluated using the resonance coefficient c². Specifically, a c² of 0.5 corresponds to ideal strong resonance and superior photophysical performance. Herein, two D-π-A emitters, namely N-O-2CN and N-S-S, were rationally developed. Both molecules possess prominent two-state resonance characteristics, with calculated c² values of 0.44 and 0.45, respectively. Consistently, the two compounds display outstanding molar absorptivity: N-O-2CN affords a maximum ε of 6.43×10⁴ L·mol^-1·cm^-1 at 468 nm. More impressively, N-S-S reaches an exceptionally high ε of 1.23×10⁵ L·mol^-1·cm^-1 at 509 nm while bearing a low molecular weight of merely 377, which facilitates favorable processing capability. In addition, N-O-2CN and N-S-S exhibit narrowband blue and green luminescence, with full-widthat-half-maximum of 0.26 eV at 491 nm and 0.20 eV at 532 nm, respectively.

Key words: Narrow spectrum, Donor-acceptor modulation, Organic fluorescence material

WANG Xinyu, GAN Hanlin, LEI Jinpu, LIN Ling, LIU Jiangbo, WEN Donghao, TAN Wenle, WANG Bohan, YU Yue, MA Yuguang. Construction of D-π-A Emitters with High Molar Extinction Coefficient via Two-state Resonance[J]. Chemical Research in Chinese Universities, 2026, 42(4): 1295-1300.

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Construction of D-π-A Emitters with High Molar Extinction Coefficient via Two-state Resonance

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