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New scu topological MOF based on azolyl-carboxyl bifunctional linker: Gas adsorption and luminescence properties
Journal of Solid State Chemistry ( IF 3.2 ) Pub Date : 2019-12-31 , DOI: 10.1016/j.jssc.2019.121170
Wen-Juan Shi , Yong-Zhi Li , Qi-Xuan Hu , Gang-Ding Wang , Lei Hou , Yao-Yu Wang

The self-assembly of Zn2+ ion and an azolyl-carboxyl bifunctional ligand, 4,6-bis(triazol-1-yl)isophthalic acid (H2btzip), give rise to one three-dimensional (3D) porous metal-organic framework (MOF), [Zn(btzip)(H2O)0.5]·H2O (1). The MOF shows a rare (4,8)-connected scu net containing 1D channels, based on 4-connecetd ligands and 8-connected [Zn(COO)2(H2O)] dimers. Owing to the decoration of uncoordinated N atoms in porous walls, 1 can selectively capture CO2 molecules over CH4 with high adsorption heat and considerable selectivity. The different adsorption sites for CO2 in 1 were deeply explored by simulations. In addition, 1 also displays strong solid-state luminescence that is from the intraligand charge transfer.



中文翻译:

基于偶氮-羧基双功能连接基的新型拓扑MOF:气体吸附和发光性质

Zn 2+离子和偶氮基-羧基双官能配体4,6-双(三唑-1-基)间苯二甲酸(H 2 btzip)的自组装产生一种三维(3D)多孔金属-有机骨架(MOF),[Zn(btzip)(H 2 O)0.5 ]·H 2 O(1)。该MOF显示罕见的(4,8) -连接SCU含有1D信道,基于4- connecetd配体和8连接的[锌(COO)净2(H 2 O)]二聚体。由于多孔壁中未配位的N原子的修饰,1可以选择性地捕获CH 4上方的CO 2分子具有高吸附热和相当高的选择性。通过模拟深入研究了CO 2 in 1的不同吸附位点。此外,1还显示出强大的固态发光,这是由于配体内部的电荷转移引起的。

更新日期:2020-01-01
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