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首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >Band gap, sorption properties and fluorescence sensing behaviour of a novel 1D→2D cathenane‐like cobalt(II)–organic framework
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Band gap, sorption properties and fluorescence sensing behaviour of a novel 1D→2D cathenane‐like cobalt(II)–organic framework

机译：新型1D→2D甲基钴（II）的带隙，吸附性能和荧光感测行为 - 多型钴（II）的框架

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摘要

A novel hydrolytic stable Co II –organic framework, namely poly[[bis(2‐amino‐4‐sulfonatobenzoato‐κ O 1 )tetraaquatris{μ‐1,4‐bis[(imidazol‐1‐yl)methyl]benzene‐κ 2 N 3 : N 3′ }dicobalt(II)] tetrahydrate], {[Co(C 7 H 5 NO 5 S)(C 14 H 14 N 4 ) 1.5 (H 2 O) 2 ]·2H 2 O} n , ( 1 ), based on multifunctional 2‐amino‐5‐sulfobenzoic acid (H 2 asba) and the auxiliary flexible ligand 1,4‐bis[(imidazol‐1‐yl)methyl]benzene (bix), was prepared using the solution evaporation method. The purity of ( 1 ) was confirmed by elemental analysis and powder X‐ray diffraction (PXRD) analysis. Complex ( 1 ) shows a novel 1D→2D interpenetrating network, which is further extended into a 3D supramolecular framework with channels occupied by the lattice water molecules. The 2‐amino‐4‐sulfonatobenzoate (asba 2? ) ligand adopts a monodentate coordination mode. The bix ligands exhibit gauche–gauche ( GG ) and trans–trans ( TT ) conformations. A detailed analysis of the solid‐state diffuse‐reflectance UV–Vis spectrum reveals that an indirect band gap exists in the complex. The band structure, the total density of states (TDOS) and the partial density of states (PDOS) were calculated using the CASTEP program. The calculated band gap ( E g ) matches well with the experimental one. The complex exhibits a reversible dehydration–rehydration behaviour. Interestingly, gas sorption experiments demonstrate that the new fully anhydrous compound obtained by activating complex ( 1 ) at 400?K shows selective adsorption of CO 2 over N 2 . Complex ( 1 ) retains excellent framework stability in a variety of solvents and manifests distinct solvent‐dependent fluorescence properties. Moreover, the complex shows multiresponsive fluorescence sensing for some nitroaromatics in aqueous medium.
机译：一种新型水解稳定CO II-无机框架，即聚[[双（2-氨基-4-磺酰肼脱离o-κO 1）Tetraaquatris {μ-1,4-双[（咪唑-1-基）甲基]苯→κ 2 n 3：n 3'}二钴（ii）]四水合物]，{[CO（C 7 H 5 NO 5 S）（C 14 H 14 N 4）1.5（H 2 O）2]·2H 2 O} n （1）基于多官能2-氨基-5-磺苯甲酸（H 2 ASBA）和辅助柔性配体1,4-双[（咪唑-1-基）甲基]苯（BIX），使用该方法溶液蒸发方法。通过元素分析和粉末X射线衍射（PXRD）分析证实（1）的纯度。复合物（1）示出了一种新颖的1D→2D互穿网络，其进一步延伸到具有由格子水分子占据的通道的3D超分子框架中。 2-氨基-4-磺酰脱苯甲酸盐（ASBA 2〜）配体采用单张化配位模式。 Bix配体展现出Gauche-Gauche（GG）和跨反式（TT）构象。对固态漫反射率UV-VI光谱的详细分析表明，复合物中存在间接带隙。使用CASTEP程序计算频带结构，状态的总密度（TDOS）和状态（PDOS）的部分密度。计算的带隙（E G）与实验符合良好。复合物具有可逆脱水再水合行为。有趣的是，气体吸附实验表明，通过在400℃下激活复合物（1）获得的新的完全无水化合物在N 2上显示了CO 2的选择性吸附。复合物（1）在各种溶剂中保留出色的骨架稳定性，并表现出不同的溶剂依赖性荧光性质。此外，该复合物在水性介质中显示了一些硝基甲族学的多元荧光感测。

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