Publication Details |
| Category | Text Publication |
| Reference Category | Journals |
| DOI | 10.1016/j.watres.2024.122956 |
Licence  |
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| Title (Primary) | Carbon, hydrogen, nitrogen and chlorine isotope fractionation during 3-chloroaniline transformation in aqueous environments by direct photolysis, TiO2 photocatalysis and hydrolysis |
| Author | Min, N.; Yao, J.; Li, H.; Kümmel, S.
; Schaefer, T.; Herrmann, H.; Richnow, H.H. |
| Source Titel | Water Research |
| Year | 2025 |
| Department | TECH |
| Volume | 273 |
| Page From | art. 122956 |
| Language | englisch |
| Topic | T7 Bioeconomy |
| Supplements | https://ars.els-cdn.com/content/image/1-s2.0-S0043135424018566-mmc1.docx |
| Keywords | 3-Chloroaniline; Compound-specific isotope analysis; Multi-element isotope fractionation; Degradation pathways; Photolysis; Hydrolysis |
| UFZ wide themes | ProVIS; |
| Abstract | This study investigates carbon, hydrogen, nitrogen and chlorine isotope
fractionation during the transformation of 3-chloroaniline (3-CA) via direct photolysis, TiO2
photocatalytic degradation at neutral condition and hydrolysis at pH 3,
pH 7 and pH 11. Direct photolysis and ∙OH reaction (UV/H2O2)
showed similar inverse isotope fractionation (ε) for carbon (1.9 ± 0.4 ‰
and 1.9 ± 0.6 ‰), for hydrogen (6.9 ± 1.6 ‰ and 5.0 ± 2.6 ‰), and
inverse chlorine (13.9 ± 3.8 ‰ and 11.9 ± 2.9 ‰) and no nitrogen isotope
fractionation, respectively. In contrast, significantly different
normal carbon (-0.5 ± 0.1 ‰), inverse hydrogen (6.6 ± 1.5 ‰), and normal
nitrogen (-0.8 ± 0.2 ‰) and inverse chlorine (5.2 ± 3.7 ‰) isotope
fractionations were observed for the photocatalysis of 3-CA by TiO2
indicating a different degradation pathway as expected from ∙OH. For
hydrolysis, inverse carbon (0.7 ± 0.3 ‰) and hydrogen (12.5 ± 3.3 ‰)
isotope fractionation have been found at pH 3 while a normal carbon
isotope fractionation was observed at pH 7 (-0.9 ± 0.3 ‰) and pH 11
(-1.3 ± 0.4 ‰), respectively. The correlation of 2H and 13C, 15N and 13C, and 37Cl and 13C isotope fractionation (Λ) allowed to distinguish direct photodegradation (ΛH C = -4.6 ± 1.7 (ΛHC-YORK=-5.2 ± 1.0) and ΛCl-C = 8.7 ± 0.9 (ΛCl-C-YORK=8.0 ± 0.3)), UV/H2O2 oxidation (ΛHC = -4.7 ± 1.0 (ΛHC-YORK=-4.5 ± 0.6) and ΛCl-C = 6.7 ± 0.8 (ΛCl-C-YORK=7.0 ± 1.0)), UV/TiO2 photocatalysis (ΛHC = -9.2 ± 3.1 (ΛHC-YORK=-9.3 ± 1.4), ΛCl-C = -10.2 ± 1.5 (ΛCl-C-YORK=-12.4 ± 1.7) and ΛNC -2.2 ± 0.3 (ΛNC-YORK=-2.3 ± 0.4)) and the modes of hydrolysis (ΛHC = 15.2 ± 5.3 (ΛHC-YORK=17.9 ± 2.9) and ΛCl-C = 0.9 ± 0.2 (ΛCl-C-YORK=1.1
± 0.1) at pH 3) of 3-CA. The results were mechanistically interpreted
highlighting the potential of CSIA to elucidate chemical oxidation and
hydrolysis mechanisms of 3-CA. |
| Persistent UFZ Identifier | https://www.ufz.de/index.php?en=20939&ufzPublicationIdentifier=30203 |
| Min, N., Yao, J., Li, H., Kümmel, S., Schaefer, T., Herrmann, H., Richnow, H.H. (2025): Carbon, hydrogen, nitrogen and chlorine isotope fractionation during 3-chloroaniline transformation in aqueous environments by direct photolysis, TiO2 photocatalysis and hydrolysis Water Res. 273 , art. 122956 10.1016/j.watres.2024.122956 |
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