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Rational Design and Functionalization of a Zinc Metal–Organic Framework for Highly Selective Detection of 2,4,6-Trinitrophenol

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journal contribution
posted on 27.06.2017, 00:00 by Shanghua Xing, Qiming Bing, Hui Qi, Jingyao Liu, Tianyu Bai, Guanghua Li, Zhan Shi, Shouhua Feng, Ruren Xu
To develop potential metal–organic frameworks (MOFs) for 2,4,6-trinitrophenol (TNP) detection, an amino-functionalized Zn-MOF, [NH2(CH3)2]­[Zn4O­(bpt)2(bdc-NH2)0.5]·5DMF (where H3bpt = biphenyl-3,4′,5-tricarboxylate, H2bdc-NH2 = 2-aminoterephthalic acid, and DMF = N,N-dimethylformamide), has been designed theoretically and synthesized experimentally. Its structure is composed of Zn4O­(CO2)7 secondary building units linked by mixed ligands, exhibiting a three-dimensional framework. Fluorescence exploration revealed that the amino-functionalized Zn-MOF shows high selectivity and sensitivity for TNP, which agrees well with the predictions of theoretical simulations. This work provides a suitable means to develop new potential MOFs for TNP detection performance with a combination of experimental and theoretical perspectives.