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Harir, M. ; Gáspár, A. ; Kanawati, B. ; Fekete, A. ; Frommberger, M. ; Martens, D.* ; Kettrup, A.* ; El Azzouzi, M.* ; Schmitt-Kopplin, P.

Photocatalytic reactions of imazamox at TiO2, H2O2 and TiO2/H2O2 in water interfaces: Kinetic and photoproducts study.

Appl. Catal. B-Environ. 84, 524-532 (2008)
DOI
Open Access Green möglich sobald Postprint bei der ZB eingereicht worden ist.
The photocatalytic transformation of imazamox, a herbicide of imidazolinone family, is investigated in aqueous solution containing titanium dioxide. hydrogen peroxide or the combination of TiO2/H2O2 under simulated sunlight irradiation. The effect of parameters such as the amount of catalysts, the concentration of herbicide, and the pH were investigated by measurement of the rate constant of degradation. Experimental data obtained under different conditions describe the dependency of degradation rate on the above mentioned parameters. Consequently, kinetic parameters were experimentally determined and a pseudo-first-order kinetic was observed. Mulliken charge distributions calculated by the DFT method B3LYP/6-31+G(d) level of theory for key cationic, anionic and neutral structures of imazamox give interpretation for the dependency of photodegradation rate constant on pH. The degradation rate constants were always higher for the heterogeneous catalysis in reactions (TiO2/UV, TiO2/UV/H2O2) compared to the homogeneous systems (UV alone, H2O2/UV). In parallel, five photoproducts could be tentatively identified using Electrospray ionization Fourier transform ion cyclotron resonance mass spectroscopy based on precise chemical formula assignments.
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Publikationstyp Artikel: Journalartikel
Dokumenttyp Wissenschaftlicher Artikel
Schlagwörter optimizing large molecules; titanium-dioxide; aqueous-solution; photochemical degradation; geometry optimization; iterative subspace; mass-spectrometry; direct inversion; photolysis; imazapyr
ISSN (print) / ISBN 0926-3373
e-ISSN 1873-3883
Zeitschrift Applied Catalysis B
Quellenangaben Band: 84, Heft: 3-4, Seiten: 524-532 Artikelnummer: , Supplement: ,
Verlag Elsevier
Begutachtungsstatus Peer reviewed
Institut(e) Institute of Ecological Chemistry (IOEC)