Wang Jia-Xin, Li Shu-Fang, Ren Meng-Meng, Lv Meng-Han, Tang Ru-Ling, Chen Jin, Huang Hongbo, Zhang Bingbing, Yan Dong
Key Laboratory of Functional Molecular Solids, Ministry of Education, College of Chemistry and Materials Science, Anhui Normal University, Wuhu, Anhui 241002, P. R. China.
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, P. R. China.
Inorg Chem. 2024 Mar 11;63(10):4487-4491. doi: 10.1021/acs.inorgchem.4c00366. Epub 2024 Feb 28.
We herein report an unprecedented organic-inorganic hybrid borate incorporating a novel nonlinear-optical (NLO) active unit, namely, [C(NH)][B(COH)]. The novel NLO active unit was derived from the condensation reaction between two glycol molecules and one (BO) group. The title compound exhibits a moderate second-harmonic-generation effect (0.7 × KDP), a significant band gap (5.76 eV), and a suitable birefringence (0.078 at 550 nm). The optical properties are determined by the synergistic interaction between the C(NH) cation and the [B(COH)] group, as indicated by theoretical calculations.
我们在此报告一种前所未有的有机-无机杂化硼酸盐，它包含一个新型非线性光学（NLO）活性单元，即[C(NH)][B(COH)]。该新型NLO活性单元源自两个二醇分子与一个(BO)基团之间的缩合反应。标题化合物表现出适度的二次谐波产生效应（0.7×KDP）、显著的带隙（5.76 eV）以及合适的双折射（在550 nm处为0.078）。理论计算表明，其光学性质由C(NH)阳离子与[B(COH)]基团之间的协同相互作用决定。
