Experimental and theoretical study on triazole derivatives as chelating agents to remove Fe⁺⁺ Ions from wastewater in oil field

Abstract

In this study, we synthesized triazole derivatives as chelating agents (3-(p-methylphenyl)-5-(phenylsulfonyl)-4H-1,2,4-triazoline (MT), 3-phenyl-5-(phenylsulfonyl)-4H-1,2,4-triazoline (PT), and 3-(p-fluorophenyl)-5-(phenylsulfonyl)-4H-1,2,4-triazoline (FT) to remove Fe ++ ions from wastewater in oil field. The effect of synthesized compounds on the removal of iron (II) from iron-contaminated samples (Lab. design) and an industrial wastewater sample studied using DR5000 UV-vis spectrophotometer technique. Removal of iron was studied at different concentrations of FeSO 4 solution and field sample concentration. In addition, removal of iron (II) was investigated at different times. The performance of the derivative groups (methyl and fluoro) on chelating of Fe ++ ions was studied. The prepared compounds show high efficiency in removing the iron ions from the water samples used. The removal efficiency of the title molecules (MT), (PT), and (FT) was investigated using DMol3 (Materials Studio v7.0) based on quantum descriptors such as E HOMO and E LUMO . Mulliken atomic charges distribution and Fukui indices were estimated to verify the local reactive sites of the molecules. The quantum chemical parameters were found to suitable to interpret the performance of the investigated molecules as a chelating agent for Fe ++ .

Design, Synthesis, and Biological Activity of Novel Laccase Inhibitors as Fungicides against Rice Blast

“…25,26 Compounds a1−a17 were obtained via intermediate 7 and cinnamaldehyde, and compounds b1−b5 were obtained via intermediate 8 and cinnamaldehyde. 27 Intermediate 11 was synthesized with 2,2,2-trifluoroethanamine as the starting raw material following the synthesis method of intermediate 7.…”

“…Differently substituted cinnamaldehydes were synthesized using benzaldehyde as previously described . Intermediates 7 and 8 were then prepared using 80% hydrazine hydrate. , Compounds a1 – a17 were obtained via intermediate 7 and cinnamaldehyde, and compounds b1 – b5 were obtained via intermediate 8 and cinnamaldehyde . Intermediate 11 was synthesized with 2,2,2-trifluoroethanamine as the starting raw material following the synthesis method of intermediate 7 .…”