UV protective textile: Experimental and DFT computational studies on the function of some metal complexes of hydrazide derivatives on cellulose fabrics

• Published in: Applied organometallic chemistry 2023-08, Vol.37 (8), p.n/a
• Main Authors: Saeed, Saeed El‐Sayed, Aldubayyan, Meaad, Al‐Hakimi, Ahmed N., El‐Sayed, Wael A., Alnawmasi, Jawza Sh, El‐Hady, Marwa M. Abd, Abdel‐Mottaleb, M. S. A.
• Format: Article
• Language: English
• Subjects: Cellulose; Cellulose fibers; Chemistry; Coordination compounds; Copper; Cotton; cotton textile; Density functional theory; Fourier transforms; hydrazide ligand; Infrared analysis; Infrared spectroscopy; metal complexes; Metals; Nickel; NMR; Nuclear magnetic resonance; Parameter modification; Pyridines; Spectroscopic analysis; Spectrum analysis; Synthesis; Thermal analysis; Thermodynamic properties; Ultraviolet radiation; UV protection
• ISSN: 0268-2605; 1099-0739
• DOI: 10.1002/aoc.7140

Ultraviolet (UV) radiation is harmful to the skin. Therefore, it capitalized on the properties of thiophene and pyridine derivatives to prepare new textile‐protective agents with improved UV protection factor (UPF) factor. This embodies the preparation and characterization of “2‐((3‐cyano‐4‐(4‐methoxyphenyl)‐6‐(thiophene‐2‐yl)pyridine‐2‐yl)oxy)acetohydrazide” (HZ) in complex with Ni(II), Cu(II), Zn(II), or Cd(II), using proton nuclear magnetic resonance (1H NMR), carbon‐13 nuclear magnetic resonance (13C NMR), X‐ray diffraction analysis (XRD), Fourier transform infrared spectroscopy (FTIR), and thermal analysis techniques. Characterization of cotton fabric‐based cellulose (CELL) in complex with the synthesized agents using FTIR spectroscopy, X‐ray spectroscopy, and scanning electron microscopy–energy dispersive X‐ray analysis (SEM–EDX) revealed deposition of the hydrazide and its metal complexes on the cellulosic fiber. Interestingly, cellulose complexation with Cu(II) was observed to have the highest value of the UPF. Computation of the reactivity indices using density functional theory (DFT) supports this finding, where the electrophilicity parameter of the modified fabric was found to correlate with the UPF wherein Cu(II) shows the highest value. The synthesized complexes could, therefore, provide lead structures for developing new UV‐protective agents with enhanced coating characteristics. Cotton was modified with a Ni, Cu, Zn, or Cd hydrazide complex in one bath with a simple method. The modified samples exhibited UV protection ranging from good to excellent. Computation of the reactivity indices using density functional theory supports the difference in UV protection of the samples.