Abstract

Two new metal-organic frameworks, [Zn(Bdc)(Bip)∙H₂O] (I) and {[Cd₂(Btc)₂(H₂O)₂](H₂Bib)· 6H₂O} (II) (H₂Bdc = 1,3-benzenedicarboxylic acid, H₃Btc = 1,3,5-benzenetricarboxylic acid, Bib = 1,4-bis(2-methylimidazol-1′-yl)butane, Bip = 1,5-bis(2-methylimidazol-1-yl)pentane), have been successfully synthesized solvothermally and characterized by elemental analyses, UV−Vis spectroscopy, photocatalysis and single crystal X-ray diffraction (CIF files CCDC nos. 1982779 (I) and 1982780 (II). Complex I exhibits a 3-fold interpenetrating motif having dmp net with {6⁵·8} topology, complex II possesses 3D anionic network comprising of 3,6-connected {4·6²}₂{4²·6¹⁰·8³} topology. These MOFs could be taken as photocatalysts for degrading the methyl violet (MV), in which indicate their effective photocatalytic behavior for the degradation of MV. In addition, the suggested photocatalytic mechanism through density of states plots for I and II was discussed.

中文翻译：

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由聚羧酸盐和N-配体配体构建的两个新的3D金属有机骨架：晶体结构，光催化性能和DFT计算

摘要

两种新的金属有机骨架，[Zn（Bdc）（Bip）∙H ₂ O]（I）和{[Cd ₂（Btc）₂（H ₂ O）₂ ]（H ₂ Bib）·6H ₂ O}（II）（H ₂ Bdc = 1,3-苯二甲酸，H ₃ Btc = 1,3,5-苯三甲酸，Bib = 1,4-双（2-甲基咪唑-1'-基）丁烷，Bip = 1， 5-双（2-甲基咪唑-1-基）戊烷已成功溶剂合成，并通过元素分析，UV-Vis光谱，光催化和单晶X射线衍射进行了表征（CIF文件编号CCDC 1982779（I）和1982780（II）。复杂I表现出具有带有{6 ⁵ ·8}拓扑结构的dmp网的3倍互穿基元，复合物II具有包含3,6-连接的{4·6 ² } ₂ {4 ² ·6 ¹⁰ ·8 ³ }拓扑结构的3D阴离子网络。这些MOF可用作降解甲基紫（MV）的光催化剂，表明它们对MV降解具有有效的光催化性能。另外，讨论了通过I和II状态图密度建议的光催化机理。