Citation: Xuan Pang, Leyan Nian, Yongzhang Wang, Chunmei Huang. Na2(C6H4NO3)2∙H2O: A promising ultraviolet nonlinear optical crystal with strong second-harmonic generation effect and large birefringence[J]. Chinese Journal of Structural Chemistry, ;2026, 45(4): 100847. doi: 10.1016/j.cjsc.2025.100847 shu

Na2(C6H4NO3)2∙H2O: A promising ultraviolet nonlinear optical crystal with strong second-harmonic generation effect and large birefringence

Ultraviolet (UV) nonlinear optical (NLO) crystals are essential for advancing laser-based technologies in the UV region. However, overcoming the inherent trade-off between nonlinearity and bandgap in UV NLO materials remains a fundamental challenge. Herein, we propose an innovative molecular design strategy employing 5-hydroxy-2-pyridinecarboxylic acid as a novel molecular motif, characterized by its moderate π-conjugated, multidentate coordination capability, and low toxicity. By combining this organic ligand with alkali metals, we successfully obtained a noncentrosymmetric hybrid crystal, Na2(C6H4NO3)2∙H2O. This compound achieves an exceptional combination of a strong phase-matched second-harmonic generation response (6.2 × KDP), large birefringence (0.394), and a short UV cutoff edge (282 nm), effectively mitigating typical performance limitations. This work not only provides a promising candidate for UV laser applications but also demonstrates an effective strategy for designing high-performance hybrid crystals for coherent UV light generation.
- Nonlinear optical crystals,
- Second-harmonic generation,
- Birefringence,
- Crystal structure
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