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首页> 外文期刊>Crystal growth & design >The Crystallization of Extended Niobium-Cluster Framework Compounds: A Novel Approach Using Ionic Liquids
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The Crystallization of Extended Niobium-Cluster Framework Compounds: A Novel Approach Using Ionic Liquids

机译：扩展铌簇骨架化合物的结晶：一种使用离子液体的新方法

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A new class of framework compounds with niobium mixed halide/pseudohalide cluster units and Cu-I ions is explored. The title duster compound [BMIm](2)[Nb6Cl12-(NCS)(6){Cu(CH3CN)}(2)]center dot 2CH(3)CN (1) and its one-electron oxidized analogue [BMIm](2)[Nb6Cl12(NCS)(6){Cu(CH3CN)}(2)] (2) are built up of [Nb6Cl12(NCS)(6)(a)](n-) units, with n = 3 or 4, and Cu-I complex cations. Thiophilic interactions between the Cu-I atoms and the S atoms of the isothiocyanato ligands, which are N-bonded to the cluster unit, lead to new extended three-dimensional cluster networks. The synthesis of compounds 1 and 2 is described, and their characterization by single-crystal and powder X-ray diffraction, IR spectroscopy, and elemental analyses. Both compounds crystallize monoclinic space group P2(1) with Z = 2; 1: a = 12.3431(3) angstrom, b = 12.9544(3) angstrom, c = 19.3934(5) angstrom, beta = 91.944(1)degrees, and V = 3099.2(2) angstrom(3); 2: a = 8.8591(4) angstrom, b = 13.9346(5) angstrom, c = 19.4040(8) angstrom, beta = 90.568(2)degrees, and V = 2395.3(2) angstrom(3). The use of the viscous ionic liquid [BMIm] [PF6] as crystallization medium and as cation source is the key feature to obtain the title cluster framework compounds in single-crystalline quality.
机译：探索了具有混合的卤化物/拟卤化物簇单元和Cu-I离子的新型骨架化合物。标题喷粉化合物[BMIm]（2）[Nb6Cl12-（NCS）（6）{Cu（CH3CN）}（2）]中心点2CH（3）CN（1）及其单电子氧化类似物[BMIm]（ 2）[Nb6Cl12（NCS）（6）{Cu（CH3CN）}（2）]（2）由[Nb6Cl12（NCS）（6）（a）]（n-）单元组成，n = 3或4，和Cu-I复合阳离子。 N-键合到簇单元的异硫氰酸根基配体的Cu-I原子和S原子之间的亲硫相互作用导致新的扩展三维簇网络。描述了化合物1和2的合成，并通过单晶和粉末X射线衍射，IR光谱和元素分析对其进行了表征。两种化合物均以Z = 2结晶单斜空间群P2（1）/ n; 1：a = 12.3431（3）埃，b = 12.9544（3）埃，c = 19.3934（5）埃，beta = 91.944（1）度，V = 3099.2（2）埃（3）; 2：a = 8.8591（4）埃，b = 13.9346（5）埃，c = 19.4040（8）埃，β= 90.568（2）度，V = 2395.3（2）埃（3）。使用粘性离子液体[BMIm] [PF6]作为结晶介质和阳离子源是获得具有单晶品质的标题簇骨架化合物的关键特征。

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