[2,2]对环蕃二羧酸基金属有机框架化合物的磁性质、电子结构和去除阳离子型有机染料性能的研究  

Magnetic Property,Electronic Structure,and Cationic Dye Removal Ability of CuCP-MOF

作　　者：薛翔 刘峥[1] 汪景行 刘和文[1] Xiang Xue;Zheng Liu;Jinghang Wang;Hewen Liu(CAS Key Laboratory of Soft Matter Chemistry,Department of Polymer Science and Engineering,University of Science and Technology of China,Hefei 230026,China)

机构地区：[1]中国科学技术大学高分子科学与工程系,中国科学院软物质化学重点实验室,合肥230026

出　　处：《Chinese Journal of Chemical Physics》2023年第4期486-496,I0030-I0033,I0036,共16页化学物理学报（英文）

基　　金：supported by the National Natural Science Foundation of China(No.21871243 and No.51673181).

摘　　要：金属有机框架化合物材料由于其多功能性和在材料学领域的潜在应用受到了越来越广泛的关注,开发新的金属有机框架化合物结构往往会发现意想不到的材料特性.本文报告了[2,2]对环蕃二羧酸基金属有机框架化合物(CuCP-MOF)的一些独特性质.先研究了CuCP-MOF活化前后的磁性质的变化.由于双核Cu(II)结构(Cu-PW)中存在反铁磁耦合,室温下,CuCP-MOF在电子顺磁谱中表现出三重态特征活化前的CuCP-MOF具有很强的分子内反铁磁相互作用和非常弱的分子间相互作用.而活化后的CuCP-MOF由于存在不成对的Cu(II)中心表现出强烈的分子内和分子间相互作用.本文还研究了CuCP-MOF的电子结构和半导体性质.CuCP-MOF属于直接带隙半导体.此外,CuCP-MOF可以选择性地吸附阳离子型有机染料.通过利用吸附和光降解的协同作用,CuCP-MOF可以有效去除水相中的阳离子型有机染料。Metal-organic frameworks(MOFs)draw more and more attentions due to their abundant properties and potential applications in materials science.Developing new MOFs structures often gets unexpected material properties.Herein,we report the properties of a copper[2,2]paracyclophane dicarboxylate MOF(CuCP-MOF).The magnetic properties of both CuCP-MOF and activated CuCP-MOF are investigated.CuCP-MOF shows the triplet state electron paramagnetic resonance spectrum at room temperature due to the antiferromagnetic coupling of the copper(II)paddlewheel(Cu-PW)dimer centers.The MOF has strong intramolecular antiferromagnetic interactions(inside the paddle-wheel dimer centers)and very weak intermolecular interactions,while activated CuCP-MOF exhibits strong intramolecular and intermolecular interactions due to the existence of unpaired Cu(II)centers.We also investigate the electronic structure and semiconductor behavior of CuCP-MOF.The MOF is assigned to direct bandgap semiconductors.Moreover,CuCP-MOF could selectively adsorb cationic organic dyes.By utilizing the synergistic effects on adsorption and photodegradation,we successfully apply CuCP-MOF to organic dye removal.

关 键 词：金属有机框架化合物 反铁磁 选择性吸附 光降解 

分 类 号：O647.3[理学—物理化学] TB383.1[理学—化学]