UV Spectrum of the Simplest Deuterated Criegee Intermediate CD2OO
Sign Up to like & getrecommendations! Published in 2017 at "Journal of The Chinese Chemical Society"
DOI: 10.1002/jccs.201700049
Abstract: The ultraviolet (UV) absorption spectrum of the simplest deuterated Criegee intermediate CD2OO has been measured and compared with that of CH2OO. While the UV spectra of CH2OO and CD2OO are similar in the overall shape,… read more here.
Keywords: spectrum simplest; deuterated criegee; simplest deuterated; criegee intermediate ... See more keywords
Hydration and Secondary Ozonide of the Criegee Intermediate of Sabinene
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DOI: 10.1021/acsomega.7b02002
Abstract: A computational study of the formation of secondary ozonide (SOZ) from the Criegee intermediates (CIs) of sabinene, including hydration reactions with H2O and 2H2O, was performed. All of the geometries were optimized at the B3LYP… read more here.
Keywords: secondary ozonide; hydration secondary; ozonide criegee; criegee intermediate ... See more keywords
Rapid Allylic 1,6 H-Atom Transfer in an Unsaturated Criegee Intermediate.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c00055
Abstract: A novel allylic 1,6 hydrogen-atom-transfer mechanism is established through infrared activation of the 2-butenal oxide Criegee intermediate, resulting in very rapid unimolecular decay to hydroxyl (OH) radical products. A new precursor, Z/E-1,3-diiodobut-1-ene, is synthesized and… read more here.
Keywords: criegee intermediate; atom transfer; decay; unimolecular decay ... See more keywords
Ro-vibrational spectra of the simplest deuterated criegee intermediate CD2OO
Sign Up to like & getrecommendations! Published in 2020 at "Chinese Journal of Chemical Physics"
DOI: 10.1063/1674-0068/cjcp1911195
Abstract: Criegee intermediates are of significance in the atmospheric chemistry. In this work, the ro-vibrational spectra of the simplest deuterated Criegee intermediate, CD \begin{document}$ _2 $\end{document} OO, were studied by a vibrational self-consistent field/virtual configuration interaction… read more here.
Keywords: vibrational spectra; deuterated criegee; simplest deuterated; criegee intermediate ... See more keywords
Theoretical Insight into the Reaction Mechanism and Kinetics for the Criegee Intermediate of anti-PhCHOO with SO2
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DOI: 10.3390/molecules25133041
Abstract: In this study, the density functional theory (DFT) and CCSD(T) method have been performed to gain insight into the possible products and detailed reaction mechanism of the Criegee intermediate (CI) of anti-PhCHOO with SO2 for… read more here.
Keywords: intermediate anti; phchoo so2; criegee intermediate; anti phchoo ... See more keywords