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Synthesis and crystal structures of copper(II) dinuclear complex and zinc(II) coordination polymer as materials for efficient oxidative desulfurization of dibenzothiophene

Abstract

The synthesis, structure and physical properties of a dinuclear copper(II) complex [Cu2(BAc)4(QX)2], and 2D zinc(II) Coordination polymer, [Zn(TDPA)2(TMPy)2]n, (where HBAc= 4-hydroxyl benzoic acid; QX= quinoxaline; HTDPA = 3,3-thiodipropionic acid; TMPy = 4,4-Trimethylenedipyridine) were presented. The complexes were characterised by elemental analysis, FT-IR, electronic spectroscopy and thermogravimetric analysis. The structures of all the complexes were determined by single crystal X-ray diffraction studies. The geometry around Cu(II) of [Cu2(BAc)4(QX)2], is slightly distorted square pyramidal, with four oxygen atoms of carboxylate occupying the trans oreintation and one quinoxaline molecule occupying the axial position. [Zn(TDPA)2(TMPy)2]n coordination polymer are linked by two (μ-N)2 Coordination TMPy and two (μ-O)2 (halves) from (TDPA)-. Zn(TDPA)2(TMPy)2]n stacks in layers with disordered water molecules in the voids. The work further investigated [Cu2(BAc)4(QX)2] catalysed oxidation of dibenzothiophene (DBT) followed by the adsorption of the resulting dibenzothiophene sulfoxide (DBTO) over [Zn(TDPA)2(TMPy)2]n. The theoretical strength of adsorption is in the order of DBTO-[Zn(TDPA)2(TMPy)2]n (Binding Energy of −53.10 kJ/mol) > DBT-[Zn(TDPA)2(TMPy)2]n (Binding Energy of −38.53 kJ/mol) suggesting that the presence of oxygen influences the adsorption process. The use of [Cu2(BAc)4(QX)2] and [Zn(TDPA)2(TMPy)2]n in model fuel resulted in 97% oxidation of DBT with adsorption capacity of 35.5 mg/g, respectively.

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Publication details

The article was received on 19 Mar 2019, accepted on 11 Aug 2019 and first published on 12 Aug 2019


Article type: Paper
DOI: 10.1039/C9NJ01456J
New J. Chem., 2019, Accepted Manuscript

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    Synthesis and crystal structures of copper(II) dinuclear complex and zinc(II) coordination polymer as materials for efficient oxidative desulfurization of dibenzothiophene

    A. Ogunlaja, A. C. Tella, O. Adimula, S. A. Bourne, L. Ameen and A. C. Oladipo, New J. Chem., 2019, Accepted Manuscript , DOI: 10.1039/C9NJ01456J

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