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A zinc-based coordination polymer as adsorbent for removal of trichlorophenol from aqueous solution : synthesis, sorption and DFT studies
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Oladipo, Adetola C., Tella, Adedibu C., Clayton, Hadley S., Olayemi, Victoria T., Akpor, Oghenerobor B., Dembaremba, Tendai O., Ogunlaja, Adeniyi S., Clarkson, Guy J. and Walton, Richard I. (2021) A zinc-based coordination polymer as adsorbent for removal of trichlorophenol from aqueous solution : synthesis, sorption and DFT studies. Journal of Molecular Structure . 131274. doi:10.1016/j.molstruc.2021.131274 ISSN 0022-2860.
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WRAP-Zinc-based-coordination-polymer-adsorbent-removal-trichlorophenol-aqueous-solution-2021.pdf - Accepted Version - Requires a PDF viewer. Available under License Creative Commons Attribution Non-commercial No Derivatives 4.0. Download (1451Kb) | Preview |
Official URL: http://dx.doi.org/10.1016/j.molstruc.2021.131274
Abstract
[Zn(hba)2(tmdp)]n (1), a Zn-coordination polymer (CP), prepared by the reaction of Zn(NO3)2•6H2O, 4-hydroxybenzoic acid (Hhba) and 4,4’- trimethylenedipyridine (tmdp) was reported. The compound was characterised, using CHN, single crystal and powder X-ray diffraction analysis, FT-IR, and TGA techniques. It exhibits a square pyramidal geometry, with the zinc (II) atom coordinated to two nitrogen atoms from two tmdp ligand molecules and to three oxygen atoms from two hba molecules. The zinc (II) carboxylate units are bridged through the N-donor spacer ligand, thereby giving rise to a one-dimensional CP. PXRD analysis confirmed the purity of the bulk of (1). Compound (1) presented an adsorption capacity of 207.8 mg/g for the removal of 2,4,6-trichlorophenol (TCP) from aqueous solution. The adsorption mechanism is governed by π-π stacking and electrostatic interactions, as obtained from DFT studies. The feasibility and exothermic nature of the adsorption process is indicated by the negative binding energy obtained.
Item Type: | Journal Article | ||||||
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Subjects: | Q Science > QD Chemistry | ||||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||||
Library of Congress Subject Headings (LCSH): | Coordination polymers , Coordination polymers -- Absorption and adsorption , Coordination compounds , Metal-organic frameworks , Trichlorophenol , Density functionals | ||||||
Journal or Publication Title: | Journal of Molecular Structure | ||||||
Publisher: | Elsevier BV | ||||||
ISSN: | 0022-2860 | ||||||
Official Date: | 9 August 2021 | ||||||
Dates: |
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Article Number: | 131274 | ||||||
DOI: | 10.1016/j.molstruc.2021.131274 | ||||||
Status: | Peer Reviewed | ||||||
Publication Status: | Published | ||||||
Access rights to Published version: | Restricted or Subscription Access | ||||||
Date of first compliant deposit: | 9 August 2021 | ||||||
Date of first compliant Open Access: | 9 August 2022 | ||||||
RIOXX Funder/Project Grant: |
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