Synthesis, TD-DFT calculations and dyeing properties of new hybrid blend anthraquinone polymeric dye for dyeing polyester fiber | ||||
| Egyptian Journal of Chemistry | ||||
| Articles in Press, Accepted Manuscript, Available Online from 04 February 2025 | ||||
| Document Type: Original Article | ||||
| DOI: 10.21608/ejchem.2025.137315.10933 | ||||
 View on SCiNiTO | ||||
| Authors | ||||
hany hasan  1; El-Refaie Kenawy2; Sherif Bekhet3; ahmed Al-Hossainy4; Mohamed sadek3
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| 1Dyeing, Printing and Textile Auxiliaries Department, Textile Research and Technology Institute, National Research Centre, 33 El-Behouth St, Dokki, P.O. 12622, Giza, Egypt | ||||
| 2Department of Chemistry, Polymer Research Group, Faculty of Science, Tanta University, Tanta, Egypt | ||||
| 3Polymer Research Group, Department of Chemistry, Faculty of Science, Tanta University, Tanta 31527, Egypt | ||||
| 4Chemistry Department, Faculty of Science, New Valley University, El-Kharga 72511, New Valley, Egypt | ||||
| Abstract | ||||
| This study explores the synthesis, theoretical calculations, and dyeing properties of a novel hybrid blend anthraquinone polymeric dye designed for polyester fiber dyeing applications. An innovative blue polymeric dye (PAA+AnD)HB hybrid blend was produced by reacting anthraquinone dispersion Blue 56 dye (AnB56) with polyacrylic acid (PAA). This polymeric dye was confirmed by 1HNMR, elemental analysis, FTIR, UV visible spectrophotometry, SEM, and EDX analysis. The produced polymeric dye was used to color polyester fabric in large quantities. Using Hartree-Fock (HF) and density functional theory (DFT-B3LYP), the ideal geometries, vibrational wavenumbers, vibrational band intensities, and various atomic charges of 9VC have been examined. The new anthraquinone-based polymeric dye was synthesized through a stepwise chemical process, incorporating both anthraquinone moieties and polymeric segments to enhance the dye's stability and performance. Time-dependent density functional theory (TD-DFT) calculations were employed to investigate the electronic properties, absorption spectra, and excited-state dynamics of the synthesized dye molecules. The results revealed significant insights into the dye's photophysical behaviour, providing a deeper understanding of its light absorption and electron transfer processes. The dyeing efficiency, color fastness, and overall performance of the hybrid polymeric dye were evaluated on polyester fibers, demonstrating superior dye uptake, vibrant coloration, and excellent wash and light fastness properties. This study highlights the potential of anthraquinone-based polymeric dyes for advanced textile applications, offering an environmentally friendly and effective solution for polyester dyeing. | ||||
| Keywords | ||||
| : Nanoblend; TD-DFT calculations; PET; poly acrylic acid; Disperse blue 56 dye; polyester fiber; qualities of fastness | ||||
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