Benzobisthiazole-based Regioisomeric Donor-Acceptor Covalent Organic Frameworks for Photocatalytic Hydrogen Peroxide Production

Ruo-Fan Li; Ran Huo; Zhao-Hui Zhang; Yong-Chao Lu; Pei Fan; Xuan Zhang; Tan Su; Qiao-Lin Wu; Long Chen

doi:10.1007/s10118-025-3551-z

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Benzobisthiazole-based Regioisomeric Donor-Acceptor Covalent Organic Frameworks for Photocatalytic Hydrogen Peroxide Production

RAPID COMMUNICATION | Updated：2026-04-30

- Benzobisthiazole-based Regioisomeric Donor-Acceptor Covalent Organic Frameworks for Photocatalytic Hydrogen Peroxide Production
- Chinese Journal of Polymer Science Vol. 44, Issue 5, Pages: 1201-1211(2026)
- Affiliations：
  
  a.State Key Laboratory of Supramolecular Structure and Materials, College of Chemistry, Jilin University, Changchun 130012, China
  b.Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun 130021, China
- Author bio：
  
  sutan_jlu@jlu.edu.cn (T.S.)
  wuql@jlu.edu.cn (Q.L.W.)
  longchen@jlu.edu.cn (L.C.)
- Funds：
- DOI：10.1007/s10118-025-3551-z
  CLC：
- Received：02 December 2025，
  
  Accepted：29 December 2025，
  
  Online First：03 April 2026，
  
  Published：05 May 2026
- Accepted：
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Li, R. F.; Huo, R.; Zhang, Z. H.; Lu, Y. C.; Fan, P.; Zhang, X.; Su, T.; Wu, Q. L.; Chen, L. Benzobisthiazole-based regioisomeric donor-acceptor covalent organic frameworks for photocatalytic hydrogen peroxide production. Chinese J. Polym. Sci. 2026, 44, 1201–1211

Ruo-Fan Li, Ran Huo, Zhao-Hui Zhang, et al. Benzobisthiazole-based Regioisomeric Donor-Acceptor Covalent Organic Frameworks for Photocatalytic Hydrogen Peroxide Production[J]. Chinese Journal of Polymer Science, 2026, 44(5): 1201-1211.
Li, R. F.; Huo, R.; Zhang, Z. H.; Lu, Y. C.; Fan, P.; Zhang, X.; Su, T.; Wu, Q. L.; Chen, L. Benzobisthiazole-based regioisomeric donor-acceptor covalent organic frameworks for photocatalytic hydrogen peroxide production. Chinese J. Polym. Sci. 2026, 44, 1201–1211 DOI： 10.1007/s10118-025-3551-z.

Ruo-Fan Li, Ran Huo, Zhao-Hui Zhang, et al. Benzobisthiazole-based Regioisomeric Donor-Acceptor Covalent Organic Frameworks for Photocatalytic Hydrogen Peroxide Production[J]. Chinese Journal of Polymer Science, 2026, 44(5): 1201-1211. DOI： 10.1007/s10118-025-3551-z.

摘要

Two regioisomeric benzobisthiazole (BT)-based covalent organic frameworks (COFs) are constructed

via

molecular isomerization. The 2

6-BT-COF exhibits a superior H

production rate of 1638 μmol·g

–1

·h

–1

in pure water under visible light

demonstrating the crucial role of molecular connectivity in boosting photocatalytic charge separation.

Abstract

This study develops an effective molecular isomerization strategy to enhance photocatalytic hydrogen peroxide (H

) production by leveraging the structural tunability of benzobisthiazole (BT)―an electron-deficient planar heterocycle with superior optoelectronic properties and chemical stability. Unlike conventional isomeric covalent organic frameworks (COFs) which focus on symmetric or unidirectional conjugation systems

we exploit the two orthogonal

-conjugation pathways (2

6- versus 4

8-substitution) of BT to construct regioisomeric COFs with distinct topological connectivity

a design that remains rarely explored for photocatalytic H

generation. Utilizing subsitution-position flexibility of BT

two regioisomeric monomers

namely 2

6-BT-CHO and 4

8-BT-CHO

pro

were designed and polymerized into highly crystalline donor-acceptor (D-A) covalent organic frameworks (COFs): 2

6-BT-COF and 4

8-BT-COF. These COFs exhibit high surface areas

extended

-conjugation

and excellent light-harvesting capabilities

endering them ideal photocatalysts. Remarkably

under visible-light irradiation in pure water

6-BT-COF achieved a H

production rate of 1638 μmol·g

–

·h

–

outperforming 4

8-BT-COF (1046 μmol·g

–

·h

–

) by about 57%. Structural and photophysical analyses reveal that this pronounced performance difference stems from the critical influence of molecular topology on charge separation

exciton dissociation

and redox kinetics. Specifically

6-BT-COF facilitates more efficient intramolecular charge transfer and suppresses charge recombination losses compared its 4

8-substituted counterpart. This work not only presents two novel

structurally well-defined COF photocatalysts but also establishes a design principle for optimizing photocatalytic efficiency through precise control of molecular connectivity.

关键词

Keywords

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