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X-ray molecular structure characterization of a hexamethylenetetramine zinc(II) porphyrin complex, catalytic degradation of toluidine blue dye, experimental and statistical studies of adsorption isotherms

DOI: 10.1016/j.molliq.2021.117394 DOI Help

Authors: J. Brahmi (University of Monastir) , S. Nasri (University of Monastir; Majmaah University) , C. Briki (University of Monastir) , M. Guergueb (University of Monastir) , S. Najmudin (King's College London) , K. Aouadi (Qassim University) , M. R. Sanderson (King’s College London) , M. Winter (Rigaku Europe SE) , D. Cruickshank (Johnson Matthey (Pharmorphix)) , H. Nasri (University of Monastir)
Co-authored by industrial partner: Yes

Type: Journal Paper
Journal: Journal Of Molecular Liquids , VOL 24

State: Published (Approved)
Published: August 2021
Diamond Proposal Number(s): 1220 , 7656 , 9495

Abstract: In this work, we report the single crystal X-ray molecular structure of the pentacoordinate zinc(II) porphyrin coordination compound [Zn(TFMPP)(HMTA)] (complex (I)), where TFMPP = meso-tetrakis[(para-tetratrifluoromethylphenyl]porphyrinato and HMTA = hexamethylenetetramine. The 3D Hirshfeld surfaces and the 2D fingerprint maps have been employed to investigate the intermolecular interactions in the crystal lattice of complex (I). The main part of this paper is devoted to the use of the free base porphyrin H2TFMPP and the metalled zinc(II)-HMTA-porphyrin derivative (I) as adsorbents for the toluidine blue (BT) dye. The kinetic of the adsorption process for both H2TFMPP and complex (I) fitted well with the Pseudo-Second-Order kinetic model and the adsorption isotherms were well described by the Langmuir model. The advanced statistical physics models were used to provide good interpretations of the adsorption of the BT dye. Furthermore, complex (I) was found to be a good catalyst for the removal of this cationic dye in 30% aqueous hydrogen peroxide solution. The theoretical thermodynamic analyses performed on the free base porphyrin H2TFMPP and complex (I) show that the adsorption of the BT pollutant on these porphyrin compounds is not only possible but also spontaneous.

Journal Keywords: Zinc(II) porphyrin complex; Toluidine blue dye; X-ray molecular structure; Catalytic; Degradation; Adsorption isotherms; Statistical physics

Subject Areas: Chemistry

Instruments: I02-Macromolecular Crystallography , I03-Macromolecular Crystallography , I04-1-Macromolecular Crystallography (fixed wavelength) , I04-Macromolecular Crystallography , I24-Microfocus Macromolecular Crystallography

Added On: 02/09/2021 09:36

Discipline Tags:

Catalysis Molecular Complexes Organic Chemistry Physical Chemistry Chemistry

Technical Tags:

Diffraction Macromolecular Crystallography (MX)