近日，武汉纺织大学陈玲团队研究了实现了通过氢键调节FAHC₂O₄和FAH₂C₃N₃S₃ 晶体中π共轭单位的共平面性。2025年9月8日出版的《结构化学》杂志发表了这项最新研究成果。

人们提出了供体-受体氢键策略，以加强各向异性π共轭单元的共面填充，从而最大限度地提高材料的双折射性能。

研究组成功地获得了两个高度共面双折射晶体FAHC₂O₄和FAH₂C₃N₃S₃ （FA⁺: CH₅N₂⁺，甲脒）。FAHC₂O₄的禁带宽度为4.20 eV，而FAH₂C₃N₃S₃ 的禁带宽度较窄（2.96 eV）。两种晶体在各自的材料类别中分别表现出显著的双折射：0.275@546 nm和0.504@546 nm。X射线晶体学和计算研究将明显的双折射归因于它们的π共轭部分和近共面结构。FAHC₂O₄和FAH₂C₃N₃S₃ 的对比分析进一步证实了氢键强度直接影响分子共面度。这些发现为在高性能双折射材料的合理设计中应用供体-受体氢键策略提供了新的见解。

附：英文原文

Title: Regulating the coplanarity of π-conjugated units through hydrogen bonding in FAHC2O4 and FAH2C3N3S3 crystals

Author: anonymous

Issue&Volume: 2025-09-08

Abstract: The donor-acceptor hydrogen bonding strategy has been proposed to enforce coplanar packing of anisotropic π-conjugated units, thereby maximizing the material’s achievable birefringence. Herein, employing this strategy, we successfully obtain two highly coplanar birefringent crystals, FAHC2O4 and FAH2C3N3S3 (FA+: CH5N2+, formamidinium). FAHC2O4 shows a wide bandgap (4.20 eV), while FAH2C3N3S3 exhibits a narrower bandgap (2.96 eV) due to the involvement of sulfur atom. Both crystals display notable birefringence in their respective material classes: 0.275@546 nm and 0.504@546 nm, respectively. X-ray crystallography and computational studies attribute the pronounced birefringence to their π-conjugated moieties and their near-coplanar configurations. Comparative analysis of FAHC2O4 and FAH2C3N3S3 further establishes that the hydrogen bond strength directly influences the molecular coplanarity degree. These findings provide new insights for applying the donor-acceptor hydrogen bonding strategy in the rational design of high-performance birefringent materials.

DOI: 10.1016/j.cjsc.2025.100714

Source: http://cjsc.ac.cn/cms/issues/866