The First Positive Uniaxial Cyanurate Crystals Containing a Crown-like Anionic Group Arrangement and Strengthened Optical Anisotropy

被引：10

作者：

Wang, Dandan ^{[1
]}

Liang, Fei ^{[2
,3
]}

Zhang, Xinyuan ^{[1
]}

Hu, Zhanggui ^{[1
]}

Wu, Yicheng ^{[1
]}

机构：

[1] Tianjin Univ Technol, Inst Funct Crystals, Tianjin Key Lab Funct Crystal Mat, Tianjin 300384, Peoples R China

[2] Shandong Univ, State Key Lab Crystal Mat, Jinan 250100, Peoples R China

[3] Shandong Univ, Inst Crystal Mat, Jinan 250100, Peoples R China

来源：

CRYSTAL GROWTH & DESIGN | 2021年 / 21卷 / 04期

基金：

中国国家自然科学基金;

关键词：

LARGE BIREFRINGENCE; BARIUM CYANURATE; ABSORPTION-EDGE; GROWTH; ALPHA-BAB2O4; COEFFICIENTS; BORATE;

D O I：

10.1021/acs.cgd.0c01741

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Two new alkali/alkali earth metal and d(10) transition metal mixed cyanurate birefringent crystals, Li2Zn2(H2C3N3O3)(2)(HC3N3O3)(OH)(2)center dot 2H(2)O (I) and BaZn2(H2C3N3O3)(2)-(HC3N3O3)(OH) (2)center dot 2H(2)O (II), were synthesized by a mild hydrothermal method. Both I and II crystals belong to the tetragonal I4(1)/a space group which is rarely seen in metal cyanurates and feature the novel zero-dimensional crown-like clusters composed of [(H2C3N3O3)(4)(HC3N3O3)(6)](16-) (A(I)) and [(H2C3N3O3)(4)(HC3N3O3)(4)](12-) (A(II)), forming A(I)A(II)for all(II)for all(I) shape links due to the existing mirror symmetry. The UV-vis-NIR diffuse reflectance spectrum showed a large band gap of I (5.21 eV). Notably, theoretical calculations illustrated that I and II are the first two positive uniaxial cyanurate crystals due to the crown-like arrangement of standing cyanurate anionic groups. This work promotes I and II as promising ultraviolet birefringent polarizers and a feasible approach for optical anisotropy modulation in other pi-conjugated systems.

引用

页码：2348 / 2354

页数：7