Herein, a novel optical crystal material, C₈H₆IN₃O₄, has been synthesized through rational design. Remarkably, C₈H₆IN₃O₄ showcases a large birefringence of 0.55@550 nm, surpassing those of commercially available birefringent materials. Theoretical calculations and analyses indicate that this phenomenon arises from the uniform alignment of π-conjugated [NO₃]⁻ and [C₈H₆IN₂O]⁺ groups.

中文翻译：

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C8H6IN3O4：由均匀排列的杂化基团诱导的双折射晶体

本文通过合理设计合成了一种新型光学晶体材料C ₈ H ₆ IN ₃ O ₄ 。值得注意的是，C ₈ H ₆ IN ₃ O ₄表现出0.55@550 nm的大双折射，超过了市售双折射材料。理论计算和分析表明，这种现象是由π共轭的[NO ₃ ] ^-和[C ₈ H ₆ IN ₂ O] ⁺基团的均匀排列引起的。