Detailed mechanism of the CH2I + O2 reaction: Yield and self-reaction of the simplest Criegee intermediate CH2OO

Journal of Chemical Physics

Volumn 141, Issue 10, 2014, Pages

  Ting, Wei Lun ^a   Chang, Chun Hung ^a   Lee, Yu Fang ^b   Matsui, Hiroyuki ^b   Lee, Yuan Pern ^a,b   Lin, Jim Jr Min ^a,b,c  

^a INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES   (Taiwan)

^b NATIONAL CHIAO TUNG UNIVERSITY   (Taiwan)

^c NATIONAL TAIWAN UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ATMOSPHERIC CHEMISTRY; PHOTOLYSIS; REACTION INTERMEDIATES; REACTION KINETICS;

CRIEGEE INTERMEDIATES; FLOWING MIXTURES; PRESSURE DEPENDENCE; RATE COEFFICIENTS; REACTION SCHEMES; TEMPORAL PROFILE; ULTRAVIOLET ABSORPTION; VARIOUS CHANNELS;

IODINE;

EID: 84911862149     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4894405     Document Type: Article

References (42)

1. D. Johnson and G. Marston, Chem. Soc. Rev. 37, 699 (2008). 10.1039/b704260b
2. J. G. Calvert, R. Atkinson, J. A. Kerr, S. Madronich, G. K. Moortgat, T. J. Wallington, and G. Yarwood, The Mechanisms of Atmospheric Oxidation of the Alkenes (Oxford University Press, Oxford, UK, 2000), pp. 172-335.
3. O. Horie and G. K. Moortgat, Acc. Chem. Res. 31, 387 (1998). 10.1021/ar9702740
4. R. Criegee and G. Wenner, Justus Liebigs Ann. Chem. 564, 9 (1949). 10.1002/jlac.19495640103
5. W. Sander, Angew. Chem. Int. Ed. Engl. 29, 344 (1990). 10.1002/anie.199003441
6. W. H. Bunnelle, Chem. Rev. 91, 335 (1991). 10.1021/cr00003a003
7. S. Hatakeyama and H. Akimoto, Res. Chem. Intermed. 20, 503 (1994). 10.1163/156856794X00432
8. G. Marston, Science 335, 178 (2012). 10.1126/science.1217165
9. P. Neeb, O. Horie, and G. K. Moortgat, J. Phys. Chem. A 102, 6778 (1998). 10.1021/jp981264z
10. C. A. Taatjes, D. E. Shallcross, and C. J. Percival, Phys. Chem. Chem. Phys. 16, 1704 (2014). 10.1039/c3cp52842a
11. C. A. Taatjes, G. Meloni, T. M. Selby, A. J. Trevitt, D. L. Osborn, C. J. Percival, and D. E. Shallcross, J. Am. Chem. Soc. 130, 11883 (2008). 10.1021/ja804165q
12. O. Welz, J. D. Savee, D. L. Osborn, S. S. Vasu, C. J. Percival, D. E. Shallcross, and C. A. Taatjes, Science 335, 204 (2012). 10.1126/science.1213229
13. J. M. Beames, F. Liu, L. Lu, and M. I. Lester, J. Am. Chem. Soc. 134, 20045 (2012). 10.1021/ja310603j
14. L. Sheps, J. Phys. Chem. Lett. 4, 4201 (2013). 10.1021/jz402191w
15. W.-L. Ting, Y.-H. Chen, W. Chao, M. C. Smith, and J. J. Lin, Phys. Chem. Chem. Phys. 16, 10438 (2014). 10.1039/c4cp00877d
16. Y.-T. Su, Y.-H. Huang, H. A. Witek, and Y.-P. Lee, Science 340, 174 (2013). 10.1126/science.1234369
17. M. Nakajima and Y. Endo, J. Chem. Phys. 139, 101103 (2013). 10.1063/1.4821165
18. M. C. McCarthy, L. Cheng, K. N. Crabtree, O. Martinez, T. L. Nguyen, C. C. Womack, and J. F. Stanton, J. Phys. Chem. Lett. 4, 4133 (2013). 10.1021/jz4023128
19. C. A. Taatjes, O. Welz, A. J. Eskola, J. D. Savee, D. L. Osborn, E. P. F. Lee, J. M. Dyke, D. W. K. Mok, D. E. Shallcross, and C. J. Percival, Phys. Chem. Chem. Phys. 14, 10391 (2012). 10.1039/c2cp40294g
20. D. Stone, M. Blitz, L. Daubney, N. U. M. Howes, and P. Seakins, Phys. Chem. Chem. Phys. 16, 1139 (2014). 10.1039/c3cp54391a
21. Y.-T. Su, H.-Y. Lin, R. Putikam, H. Matsui, M. C. Lin, and Y.-P. Lee, Nat. Chem. 6, 477 (2014). 10.1038/nchem.1890
22. Y. Liu, K. D. Bayes, and S. P. Sander, J. Phys. Chem. A 118, 741 (2014). 10.1021/jp407058b
23. J. Sehested, T. Ellermann, and O. J. Nielsen, Int. J. Chem. Kinet. 26, 259 (1994). 10.1002/kin.550260204
24. A. Masaki, S. Tsunashima, and N. Washida, J. Phys. Chem. 99, 13126 (1995). 10.1021/j100035a014
25. S. Enami, J. Ueda, M. Goto, Y. Nakano, S. Aloisio, S. Hashimoto, and M. Kawasaki, J. Phys. Chem. A 108, 6347 (2004). 10.1021/jp0481815
26. S. Enami, Y. Sakamoto, T. Yamanaka, S. Hashimoto, M. Kawasaki, K. Tonokura, and H. Tachikawa, Bull. Chem. Soc. Jpn. 81, 1250 (2008). 10.1246/bcsj.81.1250
27. T. Gravestock, M. Blitz, W. Bloss, and D. E. Heard, ChemPhysChem 11, 3928 (2010). 10.1002/cphc.201000575
28. V. G. Stefanopoulos, V. C. Papadimitriou, Y. G. Lazarou, and P. Papagiannakopoulos, J. Phys. Chem. A 112, 1526 (2008). 10.1021/jp7096789
29. A. J. Eskola, D. Wojcik-Pastuszka, E. Ratajczak, and R. S. Timonen, Phys. Chem. Chem. Phys. 8, 1416 (2006). 10.1039/b516291b
30. H. Huang, A. Eskola, and C. A. Taatjes, J. Phys. Chem. Lett. 3, 3399 (2012); 10.1021/jz301585c
31. H. Huang, A. Eskola, and C. A. Taatjes, J. Phys. Chem. Lett. 4, 3824 (2013). 10.1021/jz402266q
32. D. Stone, M. Blitz, L. Daubney, T. Ingham, and P. Seakins, Phys. Chem. Chem. Phys. 15, 19119 (2013). 10.1039/c3cp52466c
33. Z. J. Buras, R. M. I. Elasmra, and W. H. Green, J. Phys. Chem. Lett. 5, 2224 (2014). 10.1021/jz5008406
34. M.-N. Su and J. J. Lin, Rev. Sci. Instrum. 84, 086106 (2013). 10.1063/1.4818977
35. M.-N. Su and J. J. Lin, GSTF J. Chem. Sci. (JChem) 1, 52 (2013). 10.5176/2339-5060-1.1.6
36. S. P. Sander, J. Abbatt, J. R. Barker, J. B. Burkholder, R. R. Friedl, D. M. Golden, R. E. Huie, C. E. Kolb, M. J. Kurylo, G. K. Moortgat, V. L. Orkin, and P. H. Wine, " Chemical kinetics and photochemical data for use in atmospheric studies," Evaluation Number 17, JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, 2011, see http://jpldataeval.jpl.nasa.gov.
37. E. P. F. Lee, D. K. W. Kok, D. E. Shallcross, C. J. Percival, D. L. Osborn, C. A. Taayjes, and J. M. Dyke, Chem. Eur. J. 18, 12411 (2012). 10.1002/chem.201200848
38. See supplementary material at http://dx.doi.org/10.1063/1.4894405 E-JCPSA6-141-026434 for analysis of the transient absorption spectra, kinetic analysis, additional temporal profiles, a complete list of experimental conditions and fitted results, and sensitivity analysis.
39. H. Y. Chen, C.-Y. Lien, W.-Y. Lin, Y. T. Lee, and J. J. Lin, Science 324, 781 (2009). 10.1126/science.1171305
40. Z. J. Buras, R. M. I. Elasamra, A. Jalan, J. E. Middaugh, and W. H. Green, J. Phys. Chem. A 118, 1997 (2014). 10.1021/jp4118985
41. R. Atkinson, D. L. Baulch, R. A. Cox, J. N. Crowley, R. F. Hampson, R. G. Hynes, M. E. Jenkin, M. J. Rossi, and J. Troe, Atmos. Chem. Phys. 7, 981 (2007). 10.5194/acp-7-981-2007
42. R. J. Kee, F. M. Rupley, and J. A. Miller, Chemkin-II, " A Fortran chemical kinetics package for the analysis of gas-phase chemical kinetics," Sandia Report, SAND89-8009B, 1995.