Achieving the birefringence-bandgap trade-off: Hydrogen-bond engineered biuret-cyanurate

IF 10.3 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学 Pub Date : 2025-10-01 Epub Date: 2025-07-29 DOI:10.1016/j.cjsc.2025.100695

Ziqi Chen , Miriding Mutailipu

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Abstract

Birefringent materials play a crucial role in light polarization, with important applications in fiber-optic communications. However, developing such materials for the solar-blind region and shorter wavelengths remains challenging due to the inherent trade-off between birefringence and bandgap. In this work, we introduce a strategic assembly of cyanuric rings with biuret units—the latter identified for the first time as a birefringence-active motif—resulting in two new compounds: [H₅C₂N₃O₂][H₃C₃N₃O₃] (1) and [H₅C₂N₃O₂][H₃C₃N₃O₃]·xH₂O (x ≈ 0.43) (2). Through hydrogen bonding-driven structural optimization, compound 2 achieves a 50% increase in birefringence (Δn = 0.403 @ 546 nm) compared to 1, while retaining a short cutoff edge of 208 nm. This advancement demonstrates that hydrogen-bond-guided structural design, combined with novel functional units, can overcome the traditional birefringence-bandgap conflict, opening new possibilities for short-wavelength birefringent materials with strong optical anisotropy.

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实现双折射带隙权衡：氢键工程二脲-氰尿酸盐

双折射材料在光偏振中起着至关重要的作用，在光纤通信中有着重要的应用。然而，由于双折射和带隙之间固有的权衡，开发这种材料用于太阳盲区和短波长仍然具有挑战性。在这项工作中，我们引入了双缩脲单元与氰尿酸环的策略组装，后者首次被发现为双折射活性基序，得到了两个新化合物：[H5C2N3O2][H3C3N3O3](1)和[H5C2N3O2][H3C3N3O3]·xH2O (x≈0.43)(2)。通过氢键驱动的结构优化，化合物2的双折射比1提高了50% （Δn = 0.403 @ 546 nm），同时保持了208 nm的短截止边。这一进展表明，氢键引导结构设计与新型功能单元相结合，可以克服传统的双折射带隙冲突，为具有强光学各向异性的短波双折射材料开辟了新的可能性。

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来源期刊

结构化学化学-晶体学

CiteScore

4.70

自引率

22.70%

发文量

5334

审稿时长

13 days

期刊介绍： Chinese Journal of Structural Chemistry “JIEGOU HUAXUE ”, an academic journal consisting of reviews, articles, communications and notes, provides a forum for the reporting and discussion of current novel research achievements in the fields of structural chemistry, crystallography, spectroscopy, quantum chemistry, pharmaceutical chemistry, biochemistry, material science, etc. Structural Chemistry has been indexed by SCI, CA, and some other prestigious publications.