Synthesis, Structure, and the Second-order Nonlinear Optical Properties of a Borate-carboxylic Acid Compound: KB[L-（-）-C4H4O5]2·H2O

作     者：YANG Kun YANG Ming YONG Sheng-Li ZHANG Xiao-Yong LUO Jun-Hua 杨坤;杨明;雍胜利;张骁勇;罗军华

作者机构：Teachers CollegeInner Mongolia University of Science and TechnologyBaotou 014030China State Key Laboratory of Structural ChemistryFujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China 

出 版 物：《Chinese Journal of Structural Chemistry》 (结构化学（英文）)

年 卷 期：2019年第38卷第8期

页      面：1398-1403页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 

基　　金：supported by the National Natural Science Foundation of China(No.51563019) the Natural Science Foundation of Inner Mongolia(No.2013MS0212,2018BS02009) 

主　　题：synthesis structure second-order nonlinear optical borate-carboxylic acid 

摘      要：A new organic-inorganic hybrid noncentrosymmetric potassium bis(malic acid)-borates KB(L-(-)-C4H4O5)2·H2O was synthesized by solution method. It was characterized by elemental analysis, FT-IR, TGA and single-crystal X-ray crystallography. It crystallizes in the monoclinic space group P21/c with a = 5.546(6), b = 11.985(13), c = 9.952(11) ?, β = 97.522(17)°, V = 655.8(13) ?3, Z = 2, Dc = 1.682 g/cm3, μ(MoKa) = 0.46 mm–1 and F(000) = 340. 5009 reflections were measured and 2893 independent reflections(Rint = 0.051) were used for further refinement. Single-crystal X-ray diffraction reveals that the complex exhibits a threedimensional pseudo tunnel structure consisting of fundamental building block [B(L-(-)-C4H4O5)2]– anions. The small cavities are occupied by the H2O molecules, which stabilize the whole structure by O–H×××O hydrogen bonds. The complex exhibits nonlinear optical effect as high as 1.5 times that of KDP standard.