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A 3D luminescent Zn(II) MOF for the detection of high explosives and the degradation of organic dyes: an experimental and computational study

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Abstract

A new metal–organic framework, formulated as {[Zn2(L)(DMF)3]·2DMF·2H2O} (1), has been synthesized using a symmetrical rigid carboxylate ligand terphenyl-3,3′′,5,5′′-tetracarboxylic acid (H4L). Single-crystal X-ray diffraction analysis shows that 1 possesses a 3D uninodal 4-c lonsdaleite (lon) topology based on binuclear Zn clusters. 1 behaves as a fluorescent chemosensor for highly selective and sensitive detection of Fe3+/Fe2+ ions, 2,4-dinitrophenol (2,4-DNP), p-nitrophenol (PNP) and 2,4,6-trinitrophenol (TNP). Furthermore, the photocatalytic properties of 1 for degradation of methyl violet (MV) and Rhodamine B (RhB) have been explored. The possible emission quenching of 1 in the presence of aromatic compounds has been addressed by theoretical calculations and the photocatalytic activity of 1 against organic dyes has been addressed using density of states (DOS) calculations.

Graphical abstract: A 3D luminescent Zn(ii) MOF for the detection of high explosives and the degradation of organic dyes: an experimental and computational study

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Publication details

The article was received on 21 Jul 2017, accepted on 04 Oct 2017 and first published on 04 Oct 2017


Article type: Paper
DOI: 10.1039/C7CE01341H
Citation: CrystEngComm, 2017, Advance Article
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    A 3D luminescent Zn(II) MOF for the detection of high explosives and the degradation of organic dyes: an experimental and computational study

    J. Jin, J. Wu, Y. He, B. Li, J. Liu, R. Prasad, A. Kumar and S. R. Batten, CrystEngComm, 2017, Advance Article , DOI: 10.1039/C7CE01341H

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