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首页> 外文期刊>Crystal growth & design >{[Cd(bpo)(SCN)_2]·CH_3CN}_n: A Novel Three-Dimensional (3D) Noninterpenetrated Channel-Like Open Framework with Porous Properties
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{[Cd(bpo)(SCN)_2]·CH_3CN}_n: A Novel Three-Dimensional (3D) Noninterpenetrated Channel-Like Open Framework with Porous Properties

机译：{[Cd（bpo）（SCN）_2]·CH_3CN} _n：具有多孔特性的新型三维（3D）非互穿通道类似开放框架

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摘要

Reaction of CdCl_2·0.5H_2O with 2,5-bis(4-pyridyl)-1,3,4-oxodiazole (bpo) and NH_4SCN in a 1:1:2 molar ratio under CH_3CN-H_2O medium afforded a novel neutral three-dimensional (3D) coordination polymer {[Cd(bpo)-(SCN)_2]·CH_3CN}_n (1) [monoclinic, space group P2_1/c, a = 7.680(2) A, b = 10.029(3)A, c = 25.786(7)A, β = 93.779(5)°, Z = 4]. The crystal structure reveals that 1 has a 3D noninterpenetrating open framework with guest CH_3CN molecules in the cavities, in which the Cd~(II) centers (with CdN_3S_2 octahedral geometry) are bridged by the bpo molecules and SCN~- groups. It is interesting that the two-dimensional sheet in this 3D network consists of 16-membered [Cd_4(μ-SCN-N,S)_4] rings, and the bpo molecules extend these layers to a 3D structure, which is further stabilized by C-H…N hydrogen-bonding and strong π-π stacking interactions. Thermogravimetric analysis and X-ray powder diffraction technique measurements illustrate that the framework of 1 is retained upon removal of the uncoordinated guest acetonitrile molecules, indicating that 1 might be used to generate microporous material.
机译：CdCl_2·0.5H_2O与2,5-双（4-吡啶基）-1,3,4-恶二唑（bpo）和NH_4SCN在CH_3CN-H_2O介质下以1：1：2的摩尔比反应生成新型中性三（3D）配位聚合物{[Cd（bpo）-（SCN）_2]·CH_3CN} _n（1）[单斜晶系，空间群P2_1 / c，a = 7.680（2）A，b = 10.029（3）A， c = 25.786（7）A，β= 93.779（5）°，Z = 4]。晶体结构表明1具有3D非互穿的开放框架，在腔中具有客体CH_3CN分子，其中Cd〜（II）中心（具有CdN_3S_2八面体几何）由bpo分子和SCN〜-基团桥接。有趣的是，此3D网络中的二维工作表由16元[Cd_4（μ-SCN-N，S）_4]环组成，bpo分子将这些层扩展为3D结构，通过CH…N氢键和强π-π堆积相互作用。热重分析和X射线粉末衍射技术的测量结果表明，去除未配位的客体乙腈分子时，1的构架得以保留，表明1可能用于生成微孔材料。

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