Proton-induced accelerated decay of the fungicide, vinclozolin, on TiO2 surface under solar irradiation: Experimental and DFT study
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2018-10-29 14:51
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OSIPOV, Ivan, GORBACHEV, Mikhail, GORINCHOY, Natalia. Proton-induced accelerated decay of the fungicide, vinclozolin, on TiO2 surface under solar irradiation: Experimental and DFT study. In: Journal of Environmental Science and Health - Part B Pesticides, Food Contaminants, and Agricultural Wastes, 2018, nr. 4(53), pp. 222-228. ISSN 0360-1234. DOI: https://doi.org/10.1080/03601234.2017.1410406
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Journal of Environmental Science and Health - Part B Pesticides, Food Contaminants, and Agricultural Wastes
Numărul 4(53) / 2018 / ISSN 0360-1234 /ISSNe 1532-4109

Proton-induced accelerated decay of the fungicide, vinclozolin, on TiO2 surface under solar irradiation: Experimental and DFT study

DOI:https://doi.org/10.1080/03601234.2017.1410406

Pag. 222-228

Osipov Ivan, Gorbachev Mikhail, Gorinchoy Natalia
 
Institute of Chemistry of the Academy of Sciences of Moldova
 
 
Disponibil în IBN: 7 mai 2018


Rezumat

The photochemical degradation of vinclozolin by addition of titanium dioxide on silica support has been examined both experimental and quantum-chemically. Solar irradiation of vinclozolin on silica with and without addition of titanium dioxide for 6 h resulted in 21% and 97.8% vinclozolin residues, respectively. In both these cases, phototransformation leads to the formation of (3,5-dichlorophenyl isocyanate) and (3,5-dichloroaniline). The presence of the intermediary product resulted from opening of the 2,4-oxazolidine-dione ring is also confirmed by GS-MS and LC-MS chromatography. The proton-induced mechanism of vinclozolin decay at the above experimental conditions is clarified on the base of DFT calculations.

Cuvinte-cheie
DFT calculations, silica, titanium dioxide,

phototransformation, Vinclozolin

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<dc:creator>Osipov, I.P.</dc:creator>
<dc:creator>Gorbaciov, M.I.</dc:creator>
<dc:creator>Gorincioi, N.N.</dc:creator>
<dc:date>2018-04-03</dc:date>
<dc:description xml:lang='en'><p>The photochemical degradation of vinclozolin by addition of titanium dioxide on silica support has been examined both experimental and quantum-chemically. Solar irradiation of vinclozolin on silica with and without addition of titanium dioxide for 6&nbsp;h resulted in 21% and 97.8% vinclozolin residues, respectively. In both these cases, phototransformation leads to the formation of (3,5-dichlorophenyl isocyanate) and (3,5-dichloroaniline). The presence of the intermediary product resulted from opening of the 2,4-oxazolidine-dione ring is also confirmed by GS-MS and LC-MS chromatography. The proton-induced mechanism of vinclozolin decay at the above experimental conditions is clarified on the base of DFT calculations.</p></dc:description>
<dc:identifier>10.1080/03601234.2017.1410406</dc:identifier>
<dc:source>Journal of Environmental Science and Health - Part B Pesticides, Food Contaminants, and Agricultural Wastes 53 (4) 222-228</dc:source>
<dc:subject>DFT calculations</dc:subject>
<dc:subject>phototransformation</dc:subject>
<dc:subject>silica</dc:subject>
<dc:subject>titanium dioxide</dc:subject>
<dc:subject>Vinclozolin</dc:subject>
<dc:title>Proton-induced accelerated decay of the fungicide, vinclozolin, on TiO2 surface under solar irradiation: Experimental and DFT study</dc:title>
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