LiO4 tetrahedra lock the alignment of π-conjugated layers to maximize optical anisotropy in metal hydroisocyanurates†,Inorganic Chemistry Frontiers

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LiO4 tetrahedra lock the alignment of π-conjugated layers to maximize optical anisotropy in metal hydroisocyanurates†
Inorganic Chemistry Frontiers ( IF 6.1 ) Pub Date : 2019-09-02 , DOI: 10.1039/c9qi01047e
Xianghe Meng _{1,

2,

3,

4,

5} , Fei Liang _{1,

2,

3,

4,

5} , Jian Tang _{6,

7,

8,

9,

10} , Kaijin Kang _{6,

7,

8,

9,

10} , Wenlong Yin _{6,

7,

8,

9} , Tixian Zeng _{9,

10,

11,

12} , Bin Kang _{6,

7,

8,

9} , Zheshuai Lin _{1,

2,

3,

4,

5} , Mingjun Xia _{1,

2,

3,

4,

5}

Affiliation

Parallel and compact alignments of π-conjugated anions in a crystal are of importance to maximize the optical anisotropy of crystalline materials. Our attempts to design colossal birefringence in metal hydroisocyanurates M₂N(H₂C₃N₃O₃)₄·6H₂O (M/N = Li/Ca and Na/Ba) were successful using cation coordination control. In particular, Li₂Ca(H₂C₃N₃O₃)₄·6H₂O (LCHCY) shows the largest birefringence (Δn = 0.407@800 nm) among all the reported metal cyanurates and hydroisocyanurates, even larger than that of 2D BN layers, due to the reinforced lock effect of basal oxygens from LiO₄ tetrahedra. LCHCY is a novel promising ultraviolet birefringent crystal with a short ultraviolet cut-off and a wide transmission range.

中文翻译：

LiO ₄四面体可锁定π共轭层的排列，以最大程度地提高金属氢异氰脲酸酯中的光学各向异性†

晶体中π共轭阴离子的平行和紧密排列对于最大化晶体材料的光学各向异性至关重要。我们使用阳离子配位控制成功地设计了金属氢异氰脲酸酯M ₂ N（H ₂ C ₃ N ₃ O ₃）₄ ·6H ₂ O（M / N = Li / Ca和Na / Ba）中的巨大双折射。特别地，Li ₂ Ca（H ₂ C ₃ N ₃ O ₃）₄ ·6H ₂ O（LCHCY）显示最大的双折射（Δn在所有报告的金属氰尿酸酯和氢异氰脲酸酯中，α= 0.407@800 nm），甚至比2 D BN层还要大，这归因于来自LiO ₄四面体的基础氧的增强的锁定效应。LCHCY是一种新型的有前途的紫外线双折射晶体，具有短的紫外线截止波长和宽的透射范围。

更新日期：2019-11-04

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