期刊
JOURNAL OF MOLECULAR STRUCTURE
卷 1263, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.molstruc.2022.133165
关键词
Matrix isolation; Infrared spectra; Theoretical calculations; Photochemistry; Oxidation; Mechanism
资金
- University of Cincinnati
The study investigated the thermal and photochemical reactions of ozone with methyl vinyl ether, revealing the products through experiments and DFT calculations.
A study of the thermal and photochemical reactions of ozone with methyl vinyl ether (MVE) is described, using both twin jet and merged jet deposition under a variety of conditions. In addition, irradiation experiments were carried out with either a red LED (625 nm) or a Hg pen lamp (254 nm). Products were observed by infrared spectroscopy and identification was aided by O-18 and scrambled O-16,O-18 experiments. The experimental work was supported by extensive DFT calculations. Initial thermal products included the primary ozonide (POZ), one of the two possible Criegee intermediates (CI) and H2CO, marking the first observation of the POZ and CI in this system. At longer times using merged jet deposition, observed products include methyl formate, methyl acetate, formic acid and methanol, consistent with an earlier static gas phase study on this system. Photochemical products arose from the addition of a single oxygen atom to MVE, leading to formation of methoxyacetaldehyde and methoxyoxirane, along with minor products. (C) 2022 Elsevier B.V. All rights reserved.
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