Ab initio study of OH addition reaction to isoprene

Journal of Chemical Physics

Volumn 113, Issue 13, 2000, Pages 5354-5360

  Lei, Wenfang ^a   Derecskei Kovacs, Agnes ^a   Zhang, Renyi ^a  

^a TEXAS A AND M UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ADDITION REACTIONS; FREE RADICAL REACTIONS; HYDROXYLATION; MOLECULAR VIBRATIONS;

ADDUCT RADICALS; HYDROXYL RADICALS; ISOPRENE;

HYDROCARBONS;

EID: 0034301133     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1290020     Document Type: Article

References (30)

1. R. Akinson, J. Phys. Chem. Ref. Data Monogr. 2, 1 (1994).
2. J. H. Seinfeld and S. N. Pandis, Atmospheric Chemistry and Physics: From Air Pollution to Climate Change (Wiley, New York, 1997).
3. R. A. Cox, R. G. Derwent, and M. R. Williams, Environ. Sci. Technol. 14, 57 (1980).
4. T. E. Kleindlenst, G. W. Harris, and J. N. Pitts, Jr., Environ. Sci. Technol. 16, 844 (1982).
5. R. Atkinson, S. M. Aschmann, A. M. Winer, and J. N. Pitts, Jr., Int. J. Chem. Kinet. 14, 507 (1982).
6. T. Ohta, J. Phys. Chem. 87, 1209 (1983).
7. M. Siese, R. Koch, C. Fittschen, and Zetzsch, in The Proceedings of Eurotrac Symposium '94, edited by P. M. Borrel et al. (Academic, The Hague, 1994).
8. P. Campuzano-Just, M. B. Williams, L. D'Ottone, and A. J. Hynes, Geophys. Res. Lett. 27, 693 (2000).
9. P. Stevens, D. L'Esperance, B. Chuong, and G. Martin, Int. J. Chem. Kinet. 31, 637 (1999).
10. B. Chuong, and P. Stevens, J. Phys. Chem. 104, 5230 (2000).
11. W. S. McGivern, I. Suh, A. D. Clinkenbeard, R. Zhang, and S. W. North, J. Phys. Chem. 104, 6609 (2000).
12. R. Zhang, I. Suh, A. Clinkenbeard, W. Lei, and S. North, J. Geophys. Res. (in press).
13. A. C. Lloyd, R. Atkinson, F. W. Lurmann, and B. Nitta, Atmos. Environ. 17, 1931 (1983).
14. J. P. Killus and G. Z. Whitten, Environ. Sci. Technol. 18, 142 (1984).
15. R. R. Amts and B. W. Gay, Jr., in Photochemistry of Some Naturally Emitted Hydrocarbons, EPA-600/3-79-081 (1979).
16. R. Atkinson, S. M. Aschmann, E. C. Touazon, J. Arey, and B. Zielinska, Int. J. Chem. Kinet. 21, 593 (1989).
17. C. I. Gu, C. M. Rynard, D. G. Hendry, and T. Mill, Environ. Sci. Technol. 19, 151 (1985).
18. E. C. Tuazon and R. Atkinson, Int. J. Chem. Kinet. 22, 1221 (1990).
19. S. E. Paulson and J. H. Seinfeld, Int. J. Chem. Kinet. 24, 79 (1992).
20. D. Grosjean et al. Environ. Sci. Technol. 27, 830 (1993).
21. E. S. Kwok, R. Atkinson, and J. Arey, Environ. Sci. Technol. 29, 2467 (1995).
22. P. Stevens, E. Seymour, and Z. Li, J. Phys. Chem. 104, 5989 (2000).
23. M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, GAUSSIAN 94 (Gaussian, Inc., Pittsburgh, Pennsylvania, 1995).
24. S. E. Stein, J. M. Rukkers, and R. L. Brown, NIST Standard Reference Database 25: NIST Structures and Properties Database and Estimation Program (NIST, Gaithersburg, MD, 1991).
25. J. M. Andino, J. N. Smith, R. C. Flagan, W. A. Goddard, III, and J. H. Seinfeld, J. Phys. Chem. 100, 10967 (1997).
26. Y. Y. Chuang, E. L. Coitino, and D. G. Truhlar, J. Phys. Chem. 104, 446 (2000).
27. JANAF Thermochemcial Tables, 3rd ed., edited by M. W. Chase, Jr., C. A. Davies, J. R. Downey, D. J. Frurip, R. A. McDonald, and A. N. Syverud, J. Phys. Chem. Ref. Data Suppl. 14, 1 (1985).
28. W. Lei, R. Zhang, W. S. McGivern, A. Derecskei-Kovacs, and S. W. North (to be published).
29. W. S. McGivern, A. Derecskei-Kovacs, S. W. North, and J. S. Francisco, J. Phys. Chem. 104, 463 (2000).
30. W. Lei, R. Zhang, W. S. McGivern, A. Derecskei-Kovacs, and S. W. North, Chem. Phys. Lett. 326, 109 (2000).