Investigation of the atmospheric oxidation pathways of bromoform: Initiation via OH/Cl reactions

Journal of Physical Chemistry A

Volumn 106, Issue 26, 2002, Pages 6395-6400

  McGivern, W Sean ^a   Francisco, Joseph S ^b   North, Simon W ^a  

^a TEXAS A AND M UNIVERSITY   (United States)

^b PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATMOSPHERIC OXIDATION PATHWAYS; BROMOFORM; EXOTHERMICITY; PEROXY NITRITE;

ACTIVATION ENERGY; ADDITION REACTIONS; BROMINE; DECOMPOSITION; DISSOCIATION; NITROGEN OXIDES; OXIDATION; OXYGEN; PHOTOLYSIS; REACTION KINETICS;

ORGANIC COMPOUNDS;

EID: 0037019479     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0255886     Document Type: Article

References (43)

1. Rowland, F. S. Annu. Rev. Phys. Chem. 1991, 42, 731.
2. Wofsy, S. C.; McElroy, M. B.; Yung, Y. L. Geophys. Res. Lett. 1972, 2, 215.
3. Cota, G. F.; Sturges, W. J. Mar. Chem. 1997, 6, 181.
4. Class T.; Kohnle, R.; Ballschmiter, K. Chemosphere 1986, 15, 429.
5. Schlauffer, S. M.; Atlas, E. L.; Flocke, F.; Lueb, R. A.; Stroud, V.; Travnicek, W. Geophys. Res. Lett. 1998, 25, 317.
6. Sturges, W. T.; Oram, D. E.; Carpenter, L. J.; Penken, S. A. Geophys. Res. Lett. 2000, 27, 2081.
7. Barrie, L. A.; Bottenheim, J. W.; Schnell, R. C.; Crutzen, P. J. Rasmussen, R. A. Science 1988, 334, 138.
8. Dvortsov, V. L.; Geller, M. A.; Solomon, S.; Schlauffler, S. M.; Atlas, E. L.; Blake, D. R. Geophys. Res. Lett. 1999, 26, 1699.
9. Kurylo, M. J.; Rodriguez, M. O.; Andrea, M. O.; Atlas, E. L.; Blake, D. R.; Butler, J. H.; Lal, S.; Lary, D. J.; Midgley, P. M.; Montzka, S. A.; Novelli, P. C., Reeves, C. E.; Simmonds, P. G.; Steele, L. P.; Sturges, W. T.; Weiss, R. T.; Yokouchi, Y. In Scientific Assessment of Ozone Depletion; Ennis, C. A., Ed.; World Meteorological Organization: Geneva, Switzerland, 1998; p 2.1.
10. DeMore, W. B. J. Phys. Chem. 1996, 100, 5813.
11. Kambanis, K. G.; Yannis, G. L.; Papagiannakopoulos, P. J. Phys. Chem. A 1997, 101, 8496.
12. Finlayson-Pitts, B. J.; Pitts, J. N., Jr. Chemistry of the Upper and Lower Atmosphere: Theory, Experiments, and Applications; Academic Press: San Diego, 2000.
13. Li Z.; Francisco, J. S. J. Am. Chem. Soc. 1989, 111, 5660.
14. Wilson, A. K.; Woon, D. E.; Peterson, K. A.; Dunning, T. H. J. Chem. Phys 1999, 110, 7667.
15. Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007.
16. Woon, D. E.; Dunning, T. H., Jr. J. Chem. Phys. 1993, 98, 1358.
17. McGivern, W. S.; Derecskei-Kovacs, A.; North, S. W.; Francisco, J. S. J. Phys. Chem. A 2000, 104, 436.
18. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.6; Gaussian, Inc.: Pittsburgh, PA, 1998.
19. Dibble, T. S. J. Mol Struct. 1999, 485-486, 67.
20. Bayes, K.; Friedl, R.; McGivern, W. S.; Kim, H.; Francisco, J. S.; North, S. W., manuscript in preparation.
21. Ko, M. K. W.; Sze, N.-D.; Scott, C. J.; Weisenstein, D. K. J. Geophys. Res. 1997, 102, 25507.
22. Nielsen, J. E.; Douglass, A. R. J. Geophys. Res. 2001, 106, 8089.
23. DeMore, W. B.; Sander, S. P.; Howard, C. J.; Ravishankara, A. R.; Golden, D. M.; Kolb, C. E.; Hampson, R. F.; Kurylo, M. J.; Molina, M. J. Chemical Kinetics and Photochemical Data for Use in Stratospheric Modeling; JPL Publication 97-4; Jet Propulsion Laboratory: Pasadena, CA, 1997.
24. McGivern, W. S.; Suh, I.; Clinkenbeard, A. D.; Zhang, R.; North, S. W. J. Phys. Chem. A 2000, 104, 6609.
25. -1.
26. 5 is due to a combination of the decrease in the barrier height and the use of a loose transition state on a barrierless potential.
27. Lightfoot, P. D.; Cox, R. A.; Crowley, J. N.; Destriau, M.; Hayman, G. D.; Jenkin, M. E.; Moortgat, G. K.; Zabel, F. Atmos. Environ. Part A 1992, 26, 1805.
28. Atkinson, R. J. Phys. Chem. Ref. Data 1997, 26, 215.
29. Vereecken, L.; Peeters, J.; Orlando, J. J.; Tyndall, G. S.; Ferronato, C. J. Phys. Chem. A 1999, 103, 4693.
30. Park, J.; Zhang, D.; McGivern, W. S.; Zhang, R.; North, S. W., manuscript in preparation.
31. Sehested, J.; Nielson, O. J.; Wallington, T. J. Chem. Phys. Lett. 1993, 213, 457.
32. Wittig, C.; Nadler, I.; Riesler, H.; Noble, M.; Catanzarite, J.; Radhakrishnan, G. J. Chem. Phys. 1985, 83, 5581.
33. Sun, H.; Bozzelli, J. W. J. Phys. Chem. A 2001, 105, 4504.
34. Catoire, V.; Niki, H. Chem. Phys. Lett. 1995, 245, 519.
35. Orlando, J. J.; Tyndall, G. S.; Wallington, T. J. J. Phys. Chem. 1996, 100, 7026.
36. Nielsen, O. J.; Munk, J.; Locke, G.; Wallington, T. J. J. Phys. Chem. 1991, 95, 8714.
37. Weller, R.; Lorenzenschmidt, H.; Schrems, O. Ber. Bunsen-Ges. Phys. Chem. 1992, 96, 409.
38. Lesclaux, R.; Dognon, A. M.; Caralp, F. J. Photochem. Photobiol., A 1987, 41, 1.
39. Carr, R. W., Jr.; Peterson, D. G.; Smith, F. K. J. Phys. Chem. 1986, 90, 607.
40. 2O using the measured rates from ref 38.
41. Hansen, J. C.; Francisco, J. S. Unpublished results.
42. Li, Y.; Francisco, J. S. J. Chem. Phys. 2000, 113, 1807.
43. Dixon, D. A.; Peterson, K. A.; Francisco, J. S. J. Phys. Chem. A 2000, 104, 6227.