UV absorbers for cellulosic apparels: A computational and experimental study

Abstract Two triazine based Ultra Violet (UV) absorbers Sulfuric acid mono-(2-{4-[4-chloro-6-(4-{4-chloro-6-[4-(2-sulfooxy-ethanesulfonyl)-phenylamino]-[1,3,5] triazin-2-ylamino-phenylamino)-[1,3,5]triazin-2-ylamino]-benzenesulfonyl}-ethyl) ester ( 1a ) and 4-{4-chloro-6-[4-(2-sulfooxy-ethanesulfonyl)-phenylamino]-[1,3,5] triazin-2-ylamino}-2-[4-chloro-6-(2-sulfooxy-ethanesulfonyl)-[1,3,5]triazin-2-ylamino]-benzenesulfonic acid ( 2a ) with different substituents were designed computationally. The influence of different substituents on the electrochemical properties and UV spectra of the absorbers was investigated. The presence of electron deficient unit in 1a to the molecular core significantly reduces the LUMO levels and energy gap. The designed absorbers were synthesized via condensation reaction and characterized by UV–Vis, FT-IR, MS studies. The performance of synthesized compounds as UV absorbers and their fastness properties were assessed by finishing the cotton fabric through exhaust method at different concentration and results appeared in good range.