Infrared Absorption Spectrum of the Simplest Criegee Intermediate CH₂OO
The Criegee intermediates are carbonyl oxides postulated to play key roles in the reactions of ozone with unsaturated hydrocarbons; these reactions constitute an important mechanism for the removal of unsaturated hydrocarbons and for the production of OH in the atmosphere. Here, we report the transi...
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| Veröffentlicht in: | Science (American Association for the Advancement of Science) 2013-04, Vol.340 (6129), p.174-176 |
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| container_title | Science (American Association for the Advancement of Science) |
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| creator | Su, Yu-Te Huang, Yu-Hsuan Witek, Henryk A. Lee, Yuan-Pern |
| description | The Criegee intermediates are carbonyl oxides postulated to play key roles in the reactions of ozone with unsaturated hydrocarbons; these reactions constitute an important mechanism for the removal of unsaturated hydrocarbons and for the production of OH in the atmosphere. Here, we report the transient infrared (IR) absorption spectrum of the simplest Criegee intermediate CH₂OO, produced from CH₂I + O₂ in a flow reactor, using a step-scan Fourier-transform spectrometer. The five observed bands provide definitive identification of this intermediate. The observed vibrational frequencies are more consistent with a zwitterion rather than a diradical structure of CH₂OO. The direct IR detection of CH₂OO should prove useful for kinetic and mechanistic investigations of the Criegee mechanism. |
| doi_str_mv | 10.1126/science.1234369 |
| format | Article |
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Here, we report the transient infrared (IR) absorption spectrum of the simplest Criegee intermediate CH₂OO, produced from CH₂I + O₂ in a flow reactor, using a step-scan Fourier-transform spectrometer. The five observed bands provide definitive identification of this intermediate. The observed vibrational frequencies are more consistent with a zwitterion rather than a diradical structure of CH₂OO. The direct IR detection of CH₂OO should prove useful for kinetic and mechanistic investigations of the Criegee mechanism.</description><identifier>ISSN: 0036-8075</identifier><identifier>EISSN: 1095-9203</identifier><identifier>DOI: 10.1126/science.1234369</identifier><identifier>PMID: 23580523</identifier><identifier>CODEN: SCIEAS</identifier><language>eng</language><publisher>Washington, DC: American Association for the Advancement of Science</publisher><subject>Absorption spectra ; Atmospheres ; Atmospheric chemistry ; Atoms ; Chemical bonding ; Chemical composition and interactions. 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Ionic interactions and processes</subject><subject>Chemical compounds</subject><subject>Chemical reactions</subject><subject>Earth, ocean, space</subject><subject>Exact sciences and technology</subject><subject>External geophysics</subject><subject>Hydrocarbons</subject><subject>Hydrogen atoms</subject><subject>Infrared absorption</subject><subject>Infrared radiation</subject><subject>Infrared spectrum</subject><subject>Isomers</subject><subject>Meteorology</subject><subject>Molecules</subject><subject>Oxides</subject><subject>Ozone</subject><subject>Photolysis</subject><subject>Unsaturated</subject><subject>Vibrational frequencies</subject><issn>0036-8075</issn><issn>1095-9203</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2013</creationdate><recordtype>article</recordtype><recordid>eNqF0DtLA0EQB_BFFBMftZVyIILNxd3Zu32UIagJBFJE67DZzOmFe7l7V9jmo_pJ3JioYGM1xfz4z4OQC0YHjIG48zbHyuKAAU-40Aekz6hOYw2UH5I-pVzEisq0R068X1Maepofkx7wVNEUeJ9MJlXmjMNVNFz62jVtXlfRvEHbuq6M6ixqXzGa52VToG-jkcvxBTGaVC26Ele5aTEajT82m9nsjBxlpvB4vq-n5Pnh_mk0jqezx8loOI3XHGgbZ3JpEqspKLkyS4maIk8xQysFByFNIoyQCaBMgUkNVljBbKIyNEhXHAU_Jbe73MbVb13YalHm3mJRmArrzi-YoopBojj7n24nglYSAr3-Q9d156pwyJcCCDttA6_2qluG8xeNy0vj3hff_wzgZg-Mt6YIr61s7n-d5ExKroK73Lm1b2v300-YTiBNJf8EPmuNTw</recordid><startdate>20130412</startdate><enddate>20130412</enddate><creator>Su, Yu-Te</creator><creator>Huang, Yu-Hsuan</creator><creator>Witek, Henryk A.</creator><creator>Lee, Yuan-Pern</creator><general>American Association for the Advancement of Science</general><general>The American Association for the Advancement of Science</general><scope>IQODW</scope><scope>NPM</scope><scope>7QF</scope><scope>7QG</scope><scope>7QL</scope><scope>7QP</scope><scope>7QQ</scope><scope>7QR</scope><scope>7SC</scope><scope>7SE</scope><scope>7SN</scope><scope>7SP</scope><scope>7SR</scope><scope>7SS</scope><scope>7T7</scope><scope>7TA</scope><scope>7TB</scope><scope>7TK</scope><scope>7TM</scope><scope>7U5</scope><scope>7U9</scope><scope>8BQ</scope><scope>8FD</scope><scope>C1K</scope><scope>F28</scope><scope>FR3</scope><scope>H8D</scope><scope>H8G</scope><scope>H94</scope><scope>JG9</scope><scope>JQ2</scope><scope>K9.</scope><scope>KR7</scope><scope>L7M</scope><scope>L~C</scope><scope>L~D</scope><scope>M7N</scope><scope>P64</scope><scope>RC3</scope><scope>7X8</scope></search><sort><creationdate>20130412</creationdate><title>Infrared Absorption Spectrum of the Simplest Criegee Intermediate CH₂OO</title><author>Su, Yu-Te ; Huang, Yu-Hsuan ; Witek, Henryk A. ; Lee, Yuan-Pern</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-j320t-f7ba4c90287dab7e90e35efec763267a46a6742e7521792c6c61c48feae0d3e63</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2013</creationdate><topic>Absorption spectra</topic><topic>Atmospheres</topic><topic>Atmospheric chemistry</topic><topic>Atoms</topic><topic>Chemical bonding</topic><topic>Chemical composition and interactions. 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Here, we report the transient infrared (IR) absorption spectrum of the simplest Criegee intermediate CH₂OO, produced from CH₂I + O₂ in a flow reactor, using a step-scan Fourier-transform spectrometer. The five observed bands provide definitive identification of this intermediate. The observed vibrational frequencies are more consistent with a zwitterion rather than a diradical structure of CH₂OO. The direct IR detection of CH₂OO should prove useful for kinetic and mechanistic investigations of the Criegee mechanism.</abstract><cop>Washington, DC</cop><pub>American Association for the Advancement of Science</pub><pmid>23580523</pmid><doi>10.1126/science.1234369</doi><tpages>3</tpages></addata></record> |
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| subjects | Absorption spectra Atmospheres Atmospheric chemistry Atoms Chemical bonding Chemical composition and interactions. Ionic interactions and processes Chemical compounds Chemical reactions Earth, ocean, space Exact sciences and technology External geophysics Hydrocarbons Hydrogen atoms Infrared absorption Infrared radiation Infrared spectrum Isomers Meteorology Molecules Oxides Ozone Photolysis Unsaturated Vibrational frequencies |
| title | Infrared Absorption Spectrum of the Simplest Criegee Intermediate CH₂OO |
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