CsB3GeO7和K2B2Ge3O10：硼锗酸盐体系中新型二阶非线性光学材料的探索

CsB3GeO7 and K2B2Ge3O10: explorations of new second-order nonlinear optical materials in the borogermanate systems.

作者信息

Kong Fang, Jiang Hai-Long, Hu Ting, Mao Jiang-Gao

机构信息

State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, PR China.

出版信息

Inorg Chem. 2008 Nov 17;47(22):10611-7. doi: 10.1021/ic801292p. Epub 2008 Oct 18.

DOI:10.1021/ic801292p

PMID:18928274

Abstract

Two novel alkali(I) borogermanates with noncentrosymmetric structures, namely, CsB 3GeO 7 and K 2B 2Ge 3O 10, have been synthesized by high-temperature solid-state reactions in a platinum crucible. The structure of CsB 3GeO 7 features a novel three-dimensional (3D) framework composed of cyclic B 3O 7 (5-) groups that are interconnected by Ge(IV) cations, whereas the structure of K 2B 2Ge 3O 10 is a new 3D network based on cap-shaped [Ge 3B 2O 14] (10-) clusters that are interconnected via Ge-O-B bridges. CsB 3GeO 7 exhibits a second-harmonic generation (SHG) response that is about 1.5 times that of KDP (KH 2PO 4), whereas the SHG signal of K 2B 2Ge 3O 10 is very weak. Both compounds are insulators and transparent in the range of 300-5000 nm. The electronic structure calculations for both compounds also have been performed.

摘要

通过在铂坩埚中进行高温固态反应，合成了两种具有非中心对称结构的新型碱金属（I）硼锗酸盐，即CsB₃GeO₇和K₂B₂Ge₃O₁₀。CsB₃GeO₇的结构具有由环状B₃O₇⁽⁵⁻⁾基团组成的新型三维（3D）框架，这些基团通过Ge（IV）阳离子相互连接，而K₂B₂Ge₃O₁₀的结构是基于帽状[Ge₃B₂O₁₄]⁽¹⁰⁻⁾簇的新型3D网络，这些簇通过Ge - O - B桥相互连接。CsB₃GeO₇表现出的二次谐波产生（SHG）响应约为KDP（KH₂PO₄）的1.5倍，而K₂B₂Ge₃O₁₀的SHG信号非常弱。这两种化合物均为绝缘体，在300 - 5000 nm范围内是透明的。还对这两种化合物进行了电子结构计算。