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

Tella, A.C. and Oladipo, A. C. and Adimula, V. O and Ameen, O. A and Bourne, S. A and Ogunlaja, A. S (2019) Synthesis and crystal structures of a copper(II) dinuclear complex and zinc(II) coordination polymers as materials for efficient oxidative desulfurization of dibenzothiophene. New Journal of Chemistry, 43.

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Abstract

The synthesis, structure and physical properties of a dinuclear copper(II) complex [Cu2(BAc)4(QX)2], and 2D zinc(II) coordination polymers, [Zn(TDPA)2(TMPy)2]n (where HBAc = 4-hydroxyl benzoic acid; QX = quinoxaline; HTDPA = 3,3-thiodipropionic acid; TMPy = 4,4-trimethylenedipyridine) are 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 the Cu(II) of [Cu2(BAc)4(QX)2] is slightly distorted square pyramidal, with four oxygen atoms of the carboxylate occupying the trans orientation and one quinoxaline molecule occupying the axial position. [Zn(TDPA)2(TMPy)2]n coordination polymers are linked by two (m-N)2 coordination TMPy and two (m-O)2 (halves) from (TDPA)�. [Zn(TDPA)2(TMPy)2]n stacks in layers with disordered water molecules in the voids. This 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�1) 4 DBT-[Zn(TDPA)2(TMPy)2]n (binding energy of �38.53 kJ mol�1) 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 an adsorption capacity of 35.5 mg g�1, respectively.

Item Type: Article
Subjects: Q Science > QD Chemistry
Depositing User: Mrs Adetola Oladipo
Date Deposited: 13 Jul 2021 15:50
Last Modified: 13 Jul 2021 15:50
URI: https://eprints.lmu.edu.ng/id/eprint/3434

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