Atmospheric chemistry of Z- and E-CF3CHCHCF3. Issue 1 (8th December 2016)

• Record Type: Journal Article
• Authors: Østerstrøm, Freja F.; Andersen, Simone Thirstrup; Sølling, Theis I.; Nielsen, Ole John; Sulbaek Andersen, Mads P.
• Is Part Of: Physical chemistry chemical physics. Volume 19:Issue 1(2017)
• Page Start: 735
• Page End: 750
• Publication Date: 2016-12-08
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c6cp07234h
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : The first determination of the atmospheric chemistry of E -CF3 CHCHCF3 and of the Cl and O3 initiated atmospheric chemistry of Z -CF3 CHCHCF3 . Abstract : The atmospheric fates of Z - and E -CF3 CHCHCF3 have been studied, investigating the kinetics and the products of the reactions of the two compounds with Cl atoms, OH radicals, OD radicals, and O3 . FTIR smog chamber experiments measured: k (Cl + Z -CF3 CHCHCF3 ) = (2.59 ± 0.47) × 10 −11, k (Cl + E -CF3 CHCHCF3 ) = (1.36 ± 0.27) × 10 −11, k (OH + Z -CF3 CHCHCF3 ) = (4.21 ± 0.62) × 10 −13, k (OH + E -CF3 CHCHCF3 ) = (1.72 ± 0.42) × 10 −13, k (OD + Z -CF3 CHCHCF3 ) = (6.94 ± 1.25) × 10 −13, k (OD + E -CF3 CHCHCF3 ) = (5.61 ± 0.98) × 10 −13, k (O3 + Z -CF3 CHCHCF3 ) = (6.25 ± 0.70) × 10 −22, and k (O3 + E -CF3 CHCHCF3 ) = (4.14 ± 0.42) × 10 −22 cm 3 molecule −1 s −1 in 700 Torr of air/N2 /O2 diluents at 296 ± 2 K. E -CF3 CHCHCF3 reacts with Cl atoms to give CF3 CHClC(O)CF3 in a yield indistinguishable from 100%. Z -CF3 CHCHCF3 reacts with Cl atoms to give (95 ± 10)% CF3 CHClC(O)CF3 and (7 ± 1)% E -CF3 CHCHCF3 . CF3 CHClC(O)CF3 reacts with Cl atoms to give the secondary product CF3 C(O)Cl in a yield indistinguishable from 100%, with the observed co-products C(O)F2 and CF3 O3 CF3 . The main atmospheric fate for Z - and E -CF3 CHCHCF3 is reaction with OH radicals. The atmospheric lifetimes of Z - and E -CF3 CHCHCF3 are estimated as 27 and 67 days, respectively. IR absorption cross sections are reported and the global warming potentials (GWPs) of Z - and E -CF3 CHCHCF3 for the 100 year time horizon are calculated to be GWP100 = 2 and 7, respectively. This study provides a comprehensive description of the atmospheric fate and impact of Z - and E -CF3 CHCHCF3 .