非中心对称水合硼酸盐Na₂B₅O₈(OH)·2H₂O的合成、结构与性质

Synthesis, structure, and properties of the noncentrosymmetric hydrated borate Na(2)B(5)O(8)(OH).2H(2)O.

作者信息

Wang Yongjiang, Pan Shilie, Tian Xuelin, Zhou Zhongxiang, Liu Gang, Wang Jide, Jia Dianzeng

机构信息

Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011, China.

出版信息

Inorg Chem. 2009 Aug 17;48(16):7800-4. doi: 10.1021/ic900700u.

DOI:10.1021/ic900700u

PMID:19624142

Abstract

Single crystal of hydrated sodium borate Na(2)B(5)O(8)(OH).2H(2)O has been grown with sizes up to 5 x 5 x 3 mm(3) under mild hydrothermal conditions at 180 degrees C. The structure is determined by single-crystal X-ray diffraction and further characterized by IR and TG analyses. It crystallizes in the orthorhombic space group Pna2(1), with a = 11.967(2) A, b = 6.5320(13) A, c = 11.126(2) A, Z = 4, R1 = 0.0183, and wR2 = 0.0483. The crystal structure of Na(2)B(5)O(8)(OH).2H(2)O is made up of Na-O polyhedra, and B(5)O(8)(OH) polyborate anions. Transmittance spectrum is performed on the Na(2)B(5)O(8)(OH).2H(2)O crystal, which shows an absorption edge less than 190 nm in the UV region. The powder second-harmonic generation intensity measured by the Kurtz-Perry method indicates that Na(2)B(5)O(8)(OH).2H(2)O is about half that of KH(2)PO(4) (KDP).

摘要

水合硼酸钠Na₂B₅O₈(OH)·2H₂O的单晶已在180℃的温和水热条件下生长，尺寸达5×5×3 mm³。其结构通过单晶X射线衍射确定，并通过红外和热重分析进一步表征。它结晶于正交空间群Pna2₁，a = 11.967(2) Å，b = 6.5320(13) Å，c = 11.126(2) Å，Z = 4，R1 = 0.0183，wR2 = 0.0483。Na₂B₅O₈(OH)·2H₂O的晶体结构由Na - O多面体和[B₅O₈(OH)]²⁻多硼酸根阴离子组成。对Na₂B₅O₈(OH)·2H₂O晶体进行了透过率光谱测试，结果表明其在紫外区域的吸收边小于190 nm。用库尔茨 - 佩里方法测量的粉末二次谐波产生强度表明，Na₂B₅O₈(OH)·2H₂O约为磷酸二氢钾（KDP）的一半。