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Molecular Packing Regulation in Anthraquinone-Based Donor-π-Acceptor Polymorphs for High-Performance Photocatalytic H2O2 Production
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DOI：10.1039/D6TA03492F.png)
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Abstract
En 中文
Photocatalytic hydrogen peroxide (H2O2) production is a promising approach aligning with the concept of sustainable development. This work reports the design and synthesis of a donor-π-acceptor (D-π-A) organic small molecule; BIAQ; comprising an anthraquinone (AQ) electron acceptor and a benzimidazole (BI) electron donor linked by carbon–carbon bonds via a benzene ring π-bridge. By optimizing crystallization conditions; two polymorphs (BIAQ-1 and BIAQ-2) were obtained; both of which efficiently generate H2O2 through simultaneous oxygen reduction reaction and water oxidation reaction pathways without sacrificial agents. Crucially; crystal packing structure analysis reveals that BIAQ-1 exhibits an almost discrete dimeric packing mode; whereas BIAQ-2 possesses a more compact and long-range ordered packing structure. Consequently; BIAQ-2 demonstrates more efficient charge separation and transport. Under Xe lamp irradiation in air without sacrificial agents; BIAQ-2 achieves an H2O2 production rate of 3058.10 μmol g–1 h–1; significantly outperforming BIAQ-1 (2429.66 μmol g–1 h–1). By highlighting the critical role of molecular packing; this work provides both molecular design strategies and mechanism insights for constructing efficient and sacrificial-agent-free H2O2 photocatalytic systems.
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