Zn(HCNO)·3HO：首个具有大双折射的单过渡金属基紫外异氰尿酸晶体。
Zn(HCNO)·3HO: the first single- transition metal based ultraviolet hydroisocyanurate crystal with large birefringence.
作者信息
Wang Dandan, Zhang Xinyuan, Liang Fei, Hu Zhanggui, Wu Yicheng
机构信息
Tianjin Key Laboratory of Functional Crystal Materials, Institute of Functional Crystals, School of Materials Science and Engineering, Tianjin University of Technology, Tianjin 300384, China.
State Key Laboratory of Crystal Materials and Institute of Crystal Materials, Shandong University, Jinan 250100, China.
出版信息
Dalton Trans. 2021 Apr 28;50(16):5617-5623. doi: 10.1039/d1dt00793a.
Birefringent crystals can modulate and detect the polarization of light, and have been widely used in the field of optoelectronic devices. The combination of a d10 transition metal cation and π-conjugated (H2C3N3O3)- group is a feasible approach for the synthesis of new crystal structures possessing large birefringence and short cutoff edges. Herein, a new hydroisocyanurate birefringent material Zn(H2C3N3O3)2·3H2O (ZHCY) was synthesized by a mild hydrothermal method. ZHCY featured a 2D layered ribbon structure constituted by coplanar π-conjugated (H2C3N3O3)- hydroisocyanurates, and displayed a wide band gap (5.24 eV) and a large birefringence (Δnexp ∼ 0.323, Δncal = 0.283 at 800 nm). Theoretical calculations revealed that its optical properties mainly originated from the π-conjugate coplanar (H2C3N3O3)- groups, which contribute to the enhancement of birefringence.
双折射晶体可以调制和检测光的偏振，并且已经在光电器件领域中得到广泛应用。d10过渡金属阳离子与π共轭（H2C3N3O3）基团的结合是合成具有大双折射和短截止边缘的新晶体结构的一种可行方法。在此，通过温和的水热法合成了一种新的异氰尿酸盐水合物双折射材料Zn（H2C3N3O3）2·3H2O（ZHCY）。ZHCY具有由共面的π共轭（H2C3N3O3）-异氰尿酸盐构成的二维层状带状结构，并表现出宽带隙（5.24 eV）和大双折射（在800 nm处，Δnexp ∼ 0.323，Δncal = 0.283）。理论计算表明，其光学性质主要源于π共轭共面（H2C3N3O3）-基团，这有助于增强双折射。
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