ZELMER, Anna, Ning ZHANG, Kateřina KOMÍNKOVÁ, Dana NACHTIGALLOVÁ, Hans Hermann RICHNOW a 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, roč. 31, č. 39, s. 10743-10750. ISSN 0743-7463. Dostupné z: 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 a 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, roč.~31, č.~39, s.~10743-10750. ISSN~0743-7463. Dostupné z: https://dx.doi.org/10.1021/acs.langmuir.5b02990.
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