由两种伯胺共模板的开架式铝硼酸盐。

Open-framework aluminoborates co-templated by two types of primary amines.

机构信息

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.

出版信息

Dalton Trans. 2011 Mar 28;40(12):2940-6. doi: 10.1039/c0dt01537g. Epub 2011 Feb 14.

DOI:10.1039/c0dt01537g

PMID:21321736

Abstract

A series of open-framework aluminoborates (ABOs), [CH(3)NH(3)][(CH(3)CH(2))(2)NH(2)][Al(B(5)O(10))] (1), [CH(3)CH(2)NH(3)][(CH(3)CH(2))(2)NH(2)][Al(B(5)O(10))] (2), [CH(3)CH(2)NH(3)](CH(3))(2)NH(2)(0.5)[Al(B(5)O(10))] (3) and [CH(3)NH(3)]CH(3)CH(2)NH(3)(2)[Al(B(5)O(10))] (4) have been made co-templated by two types of primary amines under solvothermal conditions and characterized by elemental analysis, IR, TGA, UV-Vis, powder XRD, single crystal XRD and NLO determination, respectively. These four ABOs display two structural types: 1, 2 and 3 are isostructural and exhibit CrB(4) topology, showing three different layers along three different directions; while 4 contains 8-, 14-ring layers, which are packed along the [001] direction to form a noncentrosymmetric 3D framework with 8-, 14-ring channels, showing second harmonic generation (SHG) response that is about 0.5 times that of KDP (KH(2)PO(4)). The electronic structure calculations for 1 and 4 also have been performed.

摘要

一系列的开放式骨架铝硼酸盐 (ABO)，[CH(3)NH(3)][(CH(3)CH(2))(2)NH(2)][Al(B(5)O(10))] (1)，[CH(3)CH(2)NH(3)][(CH(3)CH(2))(2)NH(2)][Al(B(5)O(10))] (2)，[CH(3)CH(2)NH(3)](CH(3))(2)NH(2)(0.5)[Al(B(5)O(10))] (3)和[CH(3)NH(3)]CH(3)CH(2)NH(3)(2)[Al(B(5)O(10))] (4)，是在溶剂热条件下由两种类型的伯胺共同模板合成的，并通过元素分析、IR、TGA、UV-Vis、粉末 XRD、单晶 XRD 和 NLO 测定分别进行了表征。这四个 ABO 呈现出两种结构类型：1、2 和 3 是同构的，具有 CrB(4)拓扑结构，沿三个不同方向显示三个不同的层；而 4 包含 8-、14-环层，沿[001]方向堆积形成非中心对称的 3D 骨架，具有 8-、14-环通道，表现出大约是 KDP（KH(2)PO(4)）的 0.5 倍的二次谐波产生 (SHG) 响应。还对 1 和 4 进行了电子结构计算。