Ghiyasi Ramin, Rezvani Zolfaghar
Department of Chemistry, Faculty of Basic Sciences, Azarbaijan Shahid Madani University, Tabriz, Iran.
Dalton Trans. 2017 Jul 25;46(29):9565-9576. doi: 10.1039/c7dt02038d.
In the present paper, successful preparation of ZnAl layered double hydroxides (LDHs) containing bis-tetrazole anions with both typical and interstratified arrangements is reported. The mechanism of the single-anion interstratified arrangement remains a long-standing and overwhelming challenge in the chemistry of LDHs. To address this issue, the arrangement of layers, the positioning of anions in the interlayer space, and the cationic ratio of layers were studied by the application of a series of laboratory methods including X-ray diffraction (XRD), thermal analyses (TGA, DTG, and DTA), elemental analysis (CHN), and energy dispersive X-ray (EDX) methods, together with computer simulations performed by using Dmol3, Forcite, and Reflex modules. The obtained information demonstrated the dependence of interstratification on the type, size, and charge distribution of the intercalated anions, and the cationic ratio of the LDH layers. At the end, a new comprehensive mechanism is proposed for single-anion interstratification in layered double hydroxides by considering the results of this research study and other related works.
本文报道了成功制备出含有双四唑阴离子且具有典型排列和层间排列的锌铝层状双氢氧化物（LDHs）。单阴离子层间排列的机制在层状双氢氧化物化学领域一直是一个长期存在且极具挑战性的问题。为解决这一问题，通过应用一系列实验室方法，包括X射线衍射（XRD）、热分析（TGA、DTG和DTA）、元素分析（CHN）以及能量色散X射线（EDX）方法，结合使用Dmol3、Forcite和Reflex模块进行的计算机模拟，研究了层的排列、阴离子在层间空间的定位以及层的阳离子比例。所获得的信息表明层间插层取决于插层阴离子的类型、大小和电荷分布以及层状双氢氧化物层的阳离子比例。最后，结合本研究及其他相关工作的结果，提出了一种关于层状双氢氧化物中单阴离子层间插层的全新综合机制。
