| ZELMER, Anna, Ning ZHANG, Kateřina KOMÍNKOVÁ, Dana NACHTIGALLOVÁ, Hans Hermann RICHNOW and Petr KLÁN. Photochemistry of 4-Chlorophenol in Liquid and Frozen Aqueous Media Studied by Chemical, Compound-Specific Isotope, and DFT Analyses. Langmuir. American Chemical Society, 2015, vol. 31, No 39, p. 10743-10750. ISSN 0743-7463. Available from: https://dx.doi.org/10.1021/acs.langmuir.5b02990. |
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@article{1335098,
author = {Zelmer, Anna and Zhang, Ning and Komínková, Kateřina and Nachtigallová, Dana and Richnow, Hans Hermann and Klán, Petr},
article_number = {39},
doi = {http://dx.doi.org/10.1021/acs.langmuir.5b02990},
keywords = {photochemistry; ice; DFT calculations; environmental},
language = {eng},
issn = {0743-7463},
journal = {Langmuir},
note = {Opraven obor publikace},
title = {Photochemistry of 4-Chlorophenol in Liquid and Frozen Aqueous Media Studied by Chemical, Compound-Specific Isotope, and DFT Analyses},
url = {http://pubs.acs.org/doi/10.1021/acs.langmuir.5b02990},
volume = {31},
year = {2015}
}
TY - JOUR
ID - 1335098
AU - Zelmer, Anna - Zhang, Ning - Komínková, Kateřina - Nachtigallová, Dana - Richnow, Hans Hermann - Klán, Petr
PY - 2015
TI - Photochemistry of 4-Chlorophenol in Liquid and Frozen Aqueous Media Studied by Chemical, Compound-Specific Isotope, and DFT Analyses
JF - Langmuir
VL - 31
IS - 39
SP - 10743-10750
EP - 10743-10750
PB - American Chemical Society
SN - 07437463
N1 - Opraven obor publikace
KW - photochemistry
KW - ice
KW - DFT calculations
KW - environmental
UR - http://pubs.acs.org/doi/10.1021/acs.langmuir.5b02990
L2 - http://pubs.acs.org/doi/10.1021/acs.langmuir.5b02990
N2 - The photochemistry of 4-chlorophenol in liquid and frozen aqueous solutions and on the surface of ice grains yields substantially different photoproducts. Several complementary experimental and theoretical methods, such as trace analyses of the photoproducts, trapping experiments, compound-specific isotope analyses, and quantum chemical calculations, were used to study the reaction mechanism differences. A similar carbon kinetic isotope effect determined for the photolysis of 4-chlorophenol samples in the temperature range of 20 to -40 degrees C and the results of trapping experiments suggest that heterogeneous cleavage of the C-Cl bond in the excited state is probably a common key step that leads to the formation of carbene and hydroxyphenyl cation intermediates. We conclude that the subsequent specific reactions of these species under various conditions are responsible for the formation of different final photoproducts.
ER -
ZELMER, Anna, Ning ZHANG, Kateřina KOMÍNKOVÁ, Dana NACHTIGALLOVÁ, Hans Hermann RICHNOW and Petr KLÁN. Photochemistry of 4-Chlorophenol in Liquid and Frozen Aqueous Media Studied by Chemical, Compound-Specific Isotope, and DFT Analyses. \textit{Langmuir}. American Chemical Society, 2015, vol.~31, No~39, p.~10743-10750. ISSN~0743-7463. Available from: https://dx.doi.org/10.1021/acs.langmuir.5b02990.
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