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The primary objective of this research is to assess the effectiveness of Fenton catalytic reactions in degrading 14 different commercial azo dyes (both single and double) present in aqueous solutions. The investigation focused on the function of dye structures, using a combination of experimental data and examination of theoretical factors. Dye degradation process was carried out at pH 3, and the concentrations of Fe<jats:sup>2+<\/jats:sup> (10<jats:sup>\u22124<\/jats:sup>\u2009mol\/L), H<jats:sub>2<\/jats:sub>O<jats:sub>2<\/jats:sub> (2\u2009\u00d7\u200910<jats:sup>\u22123<\/jats:sup>\u2009mol\/L), and dye (0.05\u2009g\/L). The findings revealed that dyes with a larger molecular weight were more effective at degrading (D%), with the overall degradation efficiency varying from 0% to 94%. Functional groups played an important role in degradation efficiency; for example, dyes with higher aromatic rings led to less D%, while a higher number of sulfonic, methyl, and nitro groups was responsible for better D%. Notably, the presence of OH groups in the backbone of dyes (AB 24, ABE 113, and MB 9) formed the Fe complex during the catalytic process, and the D% was minimal. On the other hand, theoretical quantum calculations such as the greater the JCLogP, highest occupied molecular orbital, and Dipole moment value, the higher the degradation efficiency. And dyes with low lowest unoccupied molecular orbital tended to have a better degradation efficiency. To some extent, UV\u2013Vis spectral analysis was investigated to determine the degradation pathway, and the pseudo\u2010second\u2010order kinetic model fitted better in the degradation process. The overall experimental and theoretical findings suggested that dye degradation efficiency by the Fenton process is structure\u2010dependent.<\/jats:p><\/jats:sec><jats:sec><jats:title>Practitioner Points<\/jats:title><jats:p><jats:list list-type=\"bullet\">\n<jats:list-item><jats:p>Insights into the role of azo dye structures\u2010properties on degradation efficiency.<\/jats:p><\/jats:list-item>\n<jats:list-item><jats:p>Higher molecular weight and sulfonic groups containing dyes showed better degradation efficiency.<\/jats:p><\/jats:list-item>\n<jats:list-item><jats:p>Hydroxyl groups play the formation of the Fe complex during the degradation process.<\/jats:p><\/jats:list-item>\n<jats:list-item><jats:p>Higher values of HOMO and lower values of LUMO enhanced degradation efficiency.<\/jats:p><\/jats:list-item>\n<jats:list-item><jats:p>The pseudo\u2010second\u2010order (PSO) kinetic model obeyed the Fenton process.<\/jats:p><\/jats:list-item>\n<\/jats:list><\/jats:p><\/jats:sec>","DOI":"10.1002\/wer.10948","type":"journal-article","created":{"date-parts":[[2023,12,8]],"date-time":"2023-12-08T08:30:06Z","timestamp":1702024206000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":10,"title":["Insights into the structures and properties of dyes in the Fenton catalytic process for treating wastewater effluent"],"prefix":"10.1002","volume":"95","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-6187-5351","authenticated-orcid":false,"given":"Md. Nahid","family":"Pervez","sequence":"first","affiliation":[{"name":"Hubei Provincial Engineering Laboratory for Clean Production and High Value Utilization of Bio\u2010based Textile Materials Wuhan Textile University  Wuhan China"},{"name":"Sanitary Environmental Engineering Division (SEED), Department of Civil Engineering University of Salerno  Fisciano Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7566-6198","authenticated-orcid":false,"given":"Mst. Monira Rahman","family":"Mishu","sequence":"additional","affiliation":[{"name":"Faculty of Nutrition and Food Science Patuakhali Science and Technology University  Patuakhali Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Naim Pervez","family":"Tanvir","sequence":"additional","affiliation":[{"name":"Department of Chemistry Patuakhali Govt. College  Patuakhali Bangladesh"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4755-5639","authenticated-orcid":false,"given":"Md Eman","family":"Talukder","sequence":"additional","affiliation":[{"name":"Hubei Provincial Engineering Laboratory for Clean Production and High Value Utilization of Bio\u2010based Textile Materials Wuhan Textile University  Wuhan China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7925-3144","authenticated-orcid":false,"given":"Yingjie","family":"Cai","sequence":"additional","affiliation":[{"name":"Hubei Provincial Engineering Laboratory for Clean Production and High Value Utilization of Bio\u2010based Textile Materials Wuhan Textile University  Wuhan China"},{"name":"State Key Laboratory of New Textile Materials and Advanced Processing Technologies Wuhan Textile University  Wuhan China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Felix Y.","family":"Telegin","sequence":"additional","affiliation":[{"name":"G.A. 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