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Atmospheric chemistry of Z- and E-CF3CH&z.dbd;CHCF3Electronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07234h

The atmospheric fates of Z - and E -CF 3 CH&z.dbd;CHCF 3 have been studied, investigating the kinetics and the products of the reactions of the two compounds with Cl atoms, OH radicals, OD radicals, and O 3 . FTIR smog chamber experiments measured: k (Cl + Z -CF 3 CH&z.dbd;CHCF 3 ) = (2.59 ±...

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Main Authors: Østerstrøm, Freja F, Andersen, Simone Thirstrup, Sølling, Theis I, Nielsen, Ole John, Sulbaek Andersen, Mads P
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description The atmospheric fates of Z - and E -CF 3 CH&z.dbd;CHCF 3 have been studied, investigating the kinetics and the products of the reactions of the two compounds with Cl atoms, OH radicals, OD radicals, and O 3 . FTIR smog chamber experiments measured: k (Cl + Z -CF 3 CH&z.dbd;CHCF 3 ) = (2.59 ± 0.47) × 10 −11 , k (Cl + E -CF 3 CH&z.dbd;CHCF 3 ) = (1.36 ± 0.27) × 10 −11 , k (OH + Z -CF 3 CH&z.dbd;CHCF 3 ) = (4.21 ± 0.62) × 10 −13 , k (OH + E -CF 3 CH&z.dbd;CHCF 3 ) = (1.72 ± 0.42) × 10 −13 , k (OD + Z -CF 3 CH&z.dbd;CHCF 3 ) = (6.94 ± 1.25) × 10 −13 , k (OD + E -CF 3 CH&z.dbd;CHCF 3 ) = (5.61 ± 0.98) × 10 −13 , k (O 3 + Z -CF 3 CH&z.dbd;CHCF 3 ) = (6.25 ± 0.70) × 10 −22 , and k (O 3 + E -CF 3 CH&z.dbd;CHCF 3 ) = (4.14 ± 0.42) × 10 −22 cm 3 molecule −1 s −1 in 700 Torr of air/N 2 /O 2 diluents at 296 ± 2 K. E -CF 3 CH&z.dbd;CHCF 3 reacts with Cl atoms to give CF 3 CHClC(O)CF 3 in a yield indistinguishable from 100%. Z -CF 3 CH&z.dbd;CHCF 3 reacts with Cl atoms to give (95 ± 10)% CF 3 CHClC(O)CF 3 and (7 ± 1)% E -CF 3 CH&z.dbd;CHCF 3 . CF 3 CHClC(O)CF 3 reacts with Cl atoms to give the secondary product CF 3 C(O)Cl in a yield indistinguishable from 100%, with the observed co-products C(O)F 2 and CF 3 O 3 CF 3 . The main atmospheric fate for Z - and E -CF 3 CH&z.dbd;CHCF 3 is reaction with OH radicals. The atmospheric lifetimes of Z - and E -CF 3 CH&z.dbd;CHCF 3 are estimated as 27 and 67 days, respectively. IR absorption cross sections are reported and the global warming potentials (GWPs) of Z - and E -CF 3 CH&z.dbd;CHCF 3 for the 100 year time horizon are calculated to be GWP 100 = 2 and 7, respectively. This study provides a comprehensive description of the atmospheric fate and impact of Z - and E -CF 3 CH&z.dbd;CHCF 3 . The first determination of the atmospheric chemistry of E -CF 3 CH&z.dbd;CHCF 3 and of the Cl and O 3 initiated atmospheric chemistry of Z -CF 3 CH&z.dbd;CHCF 3 .
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See DOI: 10.1039/c6cp07234h</title><source>Royal Society of Chemistry Journals</source><creator>Østerstrøm, Freja F ; Andersen, Simone Thirstrup ; Sølling, Theis I ; Nielsen, Ole John ; Sulbaek Andersen, Mads P</creator><creatorcontrib>Østerstrøm, Freja F ; Andersen, Simone Thirstrup ; Sølling, Theis I ; Nielsen, Ole John ; Sulbaek Andersen, Mads P</creatorcontrib><description><![CDATA[The atmospheric fates of Z - and E -CF 3 CH&z.dbd;CHCF 3 have been studied, investigating the kinetics and the products of the reactions of the two compounds with Cl atoms, OH radicals, OD radicals, and O 3 . FTIR smog chamber experiments measured: k (Cl + Z -CF 3 CH&z.dbd;CHCF 3 ) = (2.59 ± 0.47) × 10 −11 , k (Cl + E -CF 3 CH&z.dbd;CHCF 3 ) = (1.36 ± 0.27) × 10 −11 , k (OH + Z -CF 3 CH&z.dbd;CHCF 3 ) = (4.21 ± 0.62) × 10 −13 , k (OH + E -CF 3 CH&z.dbd;CHCF 3 ) = (1.72 ± 0.42) × 10 −13 , k (OD + Z -CF 3 CH&z.dbd;CHCF 3 ) = (6.94 ± 1.25) × 10 −13 , k (OD + E -CF 3 CH&z.dbd;CHCF 3 ) = (5.61 ± 0.98) × 10 −13 , k (O 3 + Z -CF 3 CH&z.dbd;CHCF 3 ) = (6.25 ± 0.70) × 10 −22 , and k (O 3 + E -CF 3 CH&z.dbd;CHCF 3 ) = (4.14 ± 0.42) × 10 −22 cm 3 molecule −1 s −1 in 700 Torr of air/N 2 /O 2 diluents at 296 ± 2 K. E -CF 3 CH&z.dbd;CHCF 3 reacts with Cl atoms to give CF 3 CHClC(O)CF 3 in a yield indistinguishable from 100%. Z -CF 3 CH&z.dbd;CHCF 3 reacts with Cl atoms to give (95 ± 10)% CF 3 CHClC(O)CF 3 and (7 ± 1)% E -CF 3 CH&z.dbd;CHCF 3 . CF 3 CHClC(O)CF 3 reacts with Cl atoms to give the secondary product CF 3 C(O)Cl in a yield indistinguishable from 100%, with the observed co-products C(O)F 2 and CF 3 O 3 CF 3 . The main atmospheric fate for Z - and E -CF 3 CH&z.dbd;CHCF 3 is reaction with OH radicals. The atmospheric lifetimes of Z - and E -CF 3 CH&z.dbd;CHCF 3 are estimated as 27 and 67 days, respectively. IR absorption cross sections are reported and the global warming potentials (GWPs) of Z - and E -CF 3 CH&z.dbd;CHCF 3 for the 100 year time horizon are calculated to be GWP 100 = 2 and 7, respectively. This study provides a comprehensive description of the atmospheric fate and impact of Z - and E -CF 3 CH&z.dbd;CHCF 3 . The first determination of the atmospheric chemistry of E -CF 3 CH&z.dbd;CHCF 3 and of the Cl and O 3 initiated atmospheric chemistry of Z -CF 3 CH&z.dbd;CHCF 3 .]]></description><identifier>ISSN: 1463-9076</identifier><identifier>EISSN: 1463-9084</identifier><identifier>DOI: 10.1039/c6cp07234h</identifier><language>eng</language><creationdate>2016-12</creationdate><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids></links><search><creatorcontrib>Østerstrøm, Freja F</creatorcontrib><creatorcontrib>Andersen, Simone Thirstrup</creatorcontrib><creatorcontrib>Sølling, Theis I</creatorcontrib><creatorcontrib>Nielsen, Ole John</creatorcontrib><creatorcontrib>Sulbaek Andersen, Mads P</creatorcontrib><title>Atmospheric chemistry of Z- and E-CF3CH&amp;z.dbd;CHCF3Electronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07234h</title><description><![CDATA[The atmospheric fates of Z - and E -CF 3 CH&z.dbd;CHCF 3 have been studied, investigating the kinetics and the products of the reactions of the two compounds with Cl atoms, OH radicals, OD radicals, and O 3 . FTIR smog chamber experiments measured: k (Cl + Z -CF 3 CH&z.dbd;CHCF 3 ) = (2.59 ± 0.47) × 10 −11 , k (Cl + E -CF 3 CH&z.dbd;CHCF 3 ) = (1.36 ± 0.27) × 10 −11 , k (OH + Z -CF 3 CH&z.dbd;CHCF 3 ) = (4.21 ± 0.62) × 10 −13 , k (OH + E -CF 3 CH&z.dbd;CHCF 3 ) = (1.72 ± 0.42) × 10 −13 , k (OD + Z -CF 3 CH&z.dbd;CHCF 3 ) = (6.94 ± 1.25) × 10 −13 , k (OD + E -CF 3 CH&z.dbd;CHCF 3 ) = (5.61 ± 0.98) × 10 −13 , k (O 3 + Z -CF 3 CH&z.dbd;CHCF 3 ) = (6.25 ± 0.70) × 10 −22 , and k (O 3 + E -CF 3 CH&z.dbd;CHCF 3 ) = (4.14 ± 0.42) × 10 −22 cm 3 molecule −1 s −1 in 700 Torr of air/N 2 /O 2 diluents at 296 ± 2 K. E -CF 3 CH&z.dbd;CHCF 3 reacts with Cl atoms to give CF 3 CHClC(O)CF 3 in a yield indistinguishable from 100%. Z -CF 3 CH&z.dbd;CHCF 3 reacts with Cl atoms to give (95 ± 10)% CF 3 CHClC(O)CF 3 and (7 ± 1)% E -CF 3 CH&z.dbd;CHCF 3 . CF 3 CHClC(O)CF 3 reacts with Cl atoms to give the secondary product CF 3 C(O)Cl in a yield indistinguishable from 100%, with the observed co-products C(O)F 2 and CF 3 O 3 CF 3 . The main atmospheric fate for Z - and E -CF 3 CH&z.dbd;CHCF 3 is reaction with OH radicals. The atmospheric lifetimes of Z - and E -CF 3 CH&z.dbd;CHCF 3 are estimated as 27 and 67 days, respectively. IR absorption cross sections are reported and the global warming potentials (GWPs) of Z - and E -CF 3 CH&z.dbd;CHCF 3 for the 100 year time horizon are calculated to be GWP 100 = 2 and 7, respectively. This study provides a comprehensive description of the atmospheric fate and impact of Z - and E -CF 3 CH&z.dbd;CHCF 3 . The first determination of the atmospheric chemistry of E -CF 3 CH&z.dbd;CHCF 3 and of the Cl and O 3 initiated atmospheric chemistry of Z -CF 3 CH&z.dbd;CHCF 3 .]]></description><issn>1463-9076</issn><issn>1463-9084</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><sourceid/><recordid>eNqFTjtPwzAYtBBIlMLCjvSxIDok2DiklE4oTZVODGViiVzni2Lkl2yDBDM_nAwIBiSY7k730BFyymjOKF9cyVJ6Or_mxbBHJqwoebagt8X-N5-Xh-QoxmdKKbthfEI-7pNx0Q8YlAQ5oFExhTdwPTxlIGwHdVatedVcvOfdrltWzahqjTIFZ8dGfPFeo0GbxNhStnfBiKSchct6u5mBeBVKi53GHLaIsHrY3MHvr8fkoBc64skXTsnZun6smixE2fqgzDje_sT5lJz_5be-6_l_G5_KP1ot</recordid><startdate>20161221</startdate><enddate>20161221</enddate><creator>Østerstrøm, Freja F</creator><creator>Andersen, Simone Thirstrup</creator><creator>Sølling, Theis I</creator><creator>Nielsen, Ole John</creator><creator>Sulbaek Andersen, Mads P</creator><scope/></search><sort><creationdate>20161221</creationdate><title>Atmospheric chemistry of Z- and E-CF3CH&amp;z.dbd;CHCF3Electronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07234h</title><author>Østerstrøm, Freja F ; Andersen, Simone Thirstrup ; Sølling, Theis I ; Nielsen, Ole John ; Sulbaek Andersen, Mads P</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-rsc_primary_c6cp07234h3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2016</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Østerstrøm, Freja F</creatorcontrib><creatorcontrib>Andersen, Simone Thirstrup</creatorcontrib><creatorcontrib>Sølling, Theis I</creatorcontrib><creatorcontrib>Nielsen, Ole John</creatorcontrib><creatorcontrib>Sulbaek Andersen, Mads P</creatorcontrib></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Østerstrøm, Freja F</au><au>Andersen, Simone Thirstrup</au><au>Sølling, Theis I</au><au>Nielsen, Ole John</au><au>Sulbaek Andersen, Mads P</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Atmospheric chemistry of Z- and E-CF3CH&amp;z.dbd;CHCF3Electronic supplementary information (ESI) available. See DOI: 10.1039/c6cp07234h</atitle><date>2016-12-21</date><risdate>2016</risdate><volume>19</volume><issue>1</issue><spage>735</spage><epage>75</epage><pages>735-75</pages><issn>1463-9076</issn><eissn>1463-9084</eissn><abstract><![CDATA[The atmospheric fates of Z - and E -CF 3 CH&z.dbd;CHCF 3 have been studied, investigating the kinetics and the products of the reactions of the two compounds with Cl atoms, OH radicals, OD radicals, and O 3 . FTIR smog chamber experiments measured: k (Cl + Z -CF 3 CH&z.dbd;CHCF 3 ) = (2.59 ± 0.47) × 10 −11 , k (Cl + E -CF 3 CH&z.dbd;CHCF 3 ) = (1.36 ± 0.27) × 10 −11 , k (OH + Z -CF 3 CH&z.dbd;CHCF 3 ) = (4.21 ± 0.62) × 10 −13 , k (OH + E -CF 3 CH&z.dbd;CHCF 3 ) = (1.72 ± 0.42) × 10 −13 , k (OD + Z -CF 3 CH&z.dbd;CHCF 3 ) = (6.94 ± 1.25) × 10 −13 , k (OD + E -CF 3 CH&z.dbd;CHCF 3 ) = (5.61 ± 0.98) × 10 −13 , k (O 3 + Z -CF 3 CH&z.dbd;CHCF 3 ) = (6.25 ± 0.70) × 10 −22 , and k (O 3 + E -CF 3 CH&z.dbd;CHCF 3 ) = (4.14 ± 0.42) × 10 −22 cm 3 molecule −1 s −1 in 700 Torr of air/N 2 /O 2 diluents at 296 ± 2 K. E -CF 3 CH&z.dbd;CHCF 3 reacts with Cl atoms to give CF 3 CHClC(O)CF 3 in a yield indistinguishable from 100%. Z -CF 3 CH&z.dbd;CHCF 3 reacts with Cl atoms to give (95 ± 10)% CF 3 CHClC(O)CF 3 and (7 ± 1)% E -CF 3 CH&z.dbd;CHCF 3 . CF 3 CHClC(O)CF 3 reacts with Cl atoms to give the secondary product CF 3 C(O)Cl in a yield indistinguishable from 100%, with the observed co-products C(O)F 2 and CF 3 O 3 CF 3 . The main atmospheric fate for Z - and E -CF 3 CH&z.dbd;CHCF 3 is reaction with OH radicals. The atmospheric lifetimes of Z - and E -CF 3 CH&z.dbd;CHCF 3 are estimated as 27 and 67 days, respectively. IR absorption cross sections are reported and the global warming potentials (GWPs) of Z - and E -CF 3 CH&z.dbd;CHCF 3 for the 100 year time horizon are calculated to be GWP 100 = 2 and 7, respectively. This study provides a comprehensive description of the atmospheric fate and impact of Z - and E -CF 3 CH&z.dbd;CHCF 3 . The first determination of the atmospheric chemistry of E -CF 3 CH&z.dbd;CHCF 3 and of the Cl and O 3 initiated atmospheric chemistry of Z -CF 3 CH&z.dbd;CHCF 3 .]]></abstract><doi>10.1039/c6cp07234h</doi><tpages>16</tpages></addata></record>
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