Product analysis of the OH oxidation of isoprene and 1,3-butadiene in the presence of NO

Journal of Geophysical Research Atmospheres

Volumn 107, Issue 15, 2002, Pages ACH-8-1-ACH-8-13

  Sprengnether, Michele ^a   Demerjian, Kenneth L ^a   Donahue, Neil M ^b,c   Anderson, James G ^b,d  

^a STATE UNIVERSITY OF NEW YORK   (United States)

^b HARVARD UNIVERSITY   (United States)

^c CARNEGIE MELLON UNIVERSITY   (United States)

^d HARVARD UNIVERSITY   (United States)

Author keywords

0317 Atmospheric Composition and Structure: Chemical kinetic and photochemical properties; 0365 Atmospheric Composition and Structure: Troposphere composition and chemistry

Indexed keywords

CHEMICAL ANALYSIS; CONCENTRATION (PROCESS); HYDROGEN INORGANIC COMPOUNDS; INFRARED SPECTROSCOPY; NITROGEN OXIDES; OLEFINS; OXIDATION;

ATMOSPHERIC CHEMISTRY; HYDROXYL RADICAL; ISOPRENE; OXIDATION;

EID: 32244432385     PISSN: 01480227     EISSN: None     Source Type: Journal    
DOI: 10.1029/2001JD000716     Document Type: Article

References (56)

1. Abbatt, J. P. D., K. L. Demerjian, and J. G. Anderson, A new approach to free-radical kinetics: Radially and axially resolved high-pressure discharge flow with results for hydroxyl + (ethane, propane, n-butane, n-pentane) → products at 297 K, J. Phys. Chem., 94(11), 4566 -4575, 1990.
2. Atkinson, R., Gas-phase tropospheric chemistry of volatile organic compounds, 1, Alkanes and alkenes, J. Phys. Chem. Ref. Data, 26(2), 215-290, 1997a.
3. Atkinson, R., Atmospheric reactions of alkoxy and β-hydroxyalkoxy radicals, Int. J. Chem. Kinet., 29(2), 99-111, 1997b.
4. Atkinson, R., and S. M. Aschmann, Rate constants for the reaction of OH radicals with a series of alkenes and dialkenes at 295 ± 1 K, Int. J. Chem. Kinet., 16, 1175-1186, 1984.
5. Atkinson, R., S. M. Aschmann, and J. N. Pitts Jr., Kinetics of the gas-phase reactions of hydroxyl radicals with a series of a α, β-unsaturated carbonyls at 299 ± 2 K, Int. J. Chem. Kinet., 75(1), 75-81, 1983.
6. Atkinson, R., S. M. Aschmann, E. C. Tuazon, J. Arey, and B. Zielinska, Formation of 3-methylfuran from the gas-phase reaction of OH radicals with isoprene and the rate constant for its reaction with the OH radical, Int. J. Chem. Kinet., 21(7), 593-604, 1989.
7. -1 by tunable diode laser spectrometry, Geophys. Res. Lett., 22(18), 2485-2488, 1995.
8. Biesenthal, T. A., Q. Wu, P. B. Shepson, H. A. Wiebe, K. G. Anlauf, and G. I. Mackay, A study of relationships between isoprene, its oxidation products, and ozone in the Lower Fraser Valley, BC, Atmos. Environ., 37(14), 2049-2058, 1997.
9. Campuzano-Jost, P., M. B. Williams, L. D'Ottone, and A. J. Hynes, Kinetics of the OH-initiated oxidation of isoprene, Geophys. Res. Lett., 27(5), 693-696, 2000.
10. Chen, X., D. Hulbert, and P. B. Shepson, Measurement of the organic nitrate yield from OH reaction with isoprene, J. Geophys. Res., 103, 25,563-25,568, 1998.
11. Chuong, B., and P. S. Stevens, Kinetic Study of the OH + isoprene and OH + ethylene reactions between 2 and 6 torr and over the temperature range 300-423 K, J. Phys. Chem. A, 104, 5230-5237, 2000.
12. Clarke, J. S., J. H. Kroll, N. M. Donahue, and J. G. Anderson, Testing frontier orbital control: Kinetics of OH with ethane, propane, and cyclopropane from 180 to 360 K, J. Phys. Chem. A, 102(48), 9847-9857, 1998.
13. Clarke, J. S., H. A. Rypkema, J. H. Kroll, N. M. Donahue, and J. G. Anderson, Multiple excited states in a two-state crossing model: Predicting barrier height evolution for H + alkene addition reactions, J. Phys. Chem. A., 104, 4458-4468, 2000.
14. Demerjian, K. L., J. A. Kerr, and J. G. Calvert, The mechanism of photochemical smog formation, Adv. Environ. Sci. Technol, 4, 1-262, 1974.
15. DeMore, W. B., S. P. Sander, D. M. Golden, R. F. Hampson, M. J. Kurylo, C. J. Howard, A. R. Ravishankara, C. E. Kolb, and M. J. Molina, Chemical kinetics and photochemical data for use in stratospheric modeling, JPL Publ., 97-4, 1997.
16. Dibble, T. S., A Quantum chemical study of the C-C bond fission pathways of alkoxy radicals formed following OH addition to isoprene, J. Phys. Chem. A, 103, 8559-8565, 1999.
17. Donahue, N. M., and R. G. Prinn, Nonmethane hydrocarbon chemistry in the remote marine boundary, J. Geophys. Res., 95, 18,387-18,411, 1990.
18. Donahue, N. M., K. L. Demerjian, and J. G. Anderson, Reaction modulation spectroscopy: A new approach to quantifying reaction mechanisms, J. Phys. Chem., 100(45), 17,855-17,861, 1996a.
19. Donahue, N. M., J. S. Clarke, K. L. Demerjian, and J. G. Anderson, Free-radical kinetics at high pressure: A mathematical analysis of the flow reactor, J. Phys. Chem., 100(14), 5821-5838, 1996b.
20. 2: The role of vibrationally excited intermediates, J. Phys. Chem. A, 105(9), 1507-1514, 2001.
21. Eberhard, J., and C. J. Howard, Rate coefficients for the reactions of some C3 to C5 hydrocarbon peroxy radicals with NO, J. Phys. Chem. A, 101, 3360-3366, 1997.
22. Goldan, P. D., D. D. Parrish, W. C. Kuster, M. Trainer, S. A. McKeen, J. Holloway, B. T. Jobson, D. T. Sueper, and F. C. Fehsenfeld, Airborne measurements of isoprene, CO, and anthropogenic hydrocarbons and their implications, J. Geophys. Res., 105, 9091-9105, 2000.
23. Grosjean, D., E. L. Williams II, and E. Grosjean, Atmospheric chemistry of isoprene and of its carbonyl products, Environ. Sci. Technol., 27, 830-840, 1993.
24. Gu, C.-L., C. M. Rynard, D. G. Hendry, and T. Mill, Hydroxyl radical oxidation of isoprene, Environ. Sci. Technol., 19, 151-155, 1985.
25. Guenther, A., et al., A global model of natural organic compound emissions, J. Geophys. Res., 100, 8873-8892, 1995.
26. Jenkin, M. E., and G. D. Hayman, Kinetics of reactions of primary, secondary and tertiary b-hydroxy peroxyl radicals, J. Chem. Soc. Faraday Trans., 91(13), 1911-1922, 1995.
27. Jenkin, M. E., S. M. Saunders, and M. J. Pilling, The troposphere degradation of volatile organic compounds: A protocol for mechanism development, Atmos. Environ., 31, 81-104, 1997.
28. Jenkin, M. E., A. A. Boyd, and R. Lesclaux, Peroxy radical kinetics resulting from the OH-initiated oxidation of 1,3-butadiene, 2,3-dimethyl-1,3- butadiene and isoprene, J. Atmos. Chem., 29, 267-298, 1998.
29. Killus, J. P., and G. Z. Whitten, Isoprene: A photochemical kinetic mechanism, Environ. Sci. Technol., 18(3), 142-148, 1984.
30. Kirchner, F., A. Mayer-Figge, F. Zabel, and K. H. Becker, Thermal stability of peroxynitrates, Int. J. Chem. Kinet., 31(2), 127-144, 1999.
31. Kwok, E. S. C., R. Atkinson, and J. Arey, Observation of hydroxycarbonyls from the OH radical-initiated reaction of isoprene, Environ. Sci. Technol., 29(9), 2467-2469, 1995.
32. Lei, W., A. Derecskei-Kovacs, and R. Zhang, Ab initio study of OH addition reaction to isoprene, J. Chem. Phys., 113(13), 5354-5360, 2000.
33. 2-isoprene peroxy radicals, J. Phys. Chem. A, 105, 471-477, 2001.
34. Liu, X., H. E. Jeffries, and K. G. Sexton, Hydroxyl radical and ozone initiated photochemical reactions of 1,3-butadiene, Atmos. Environ., 53(18), 3005-3022, 1999.
35. Maldotti, A., C. Chiorboli, C. A. Bignozzi, C. Bartocci, and V. Carassiti, Photooxidation of 1,3-butadiene containing systems: Rate constant determination for the reaction of acrolein with OH radicals, Int. J. Chem. Kinet., 12, 905-913, 1980.
36. McKeen, S. A., et al., Photochemical modeling of hydroxyl and its relationship to other species during the Tropospheric OH Photochemistry Experiment, J. Geophys. Res., 102, 6467-6493, 1997.
37. Miyoshi, A., S. Hatakeyama, and N. Washida, OH radical-initiated photoxidation of isoprene: An estimate of global CO production, J. Geophys. Res., 99, 18,779-18,787, 1994.
38. Niki, H., and P. D. Maker, Atmospheric Reactions Involving Hydrocarbons: Long path-FTIR studies, in Advances in Photochemistry, edited by D. H. Volman, G. S. Hammond, and K. Gollnick, p. 69, John Wiley, New York, 1990.
39. Ohta, T., Furan ring formation in OH-initiated photooxidation of 1,3-butadiene and cis-1,3-pentadiene, Bull. Chem. Soc. Jpn., 57, 960-966, 1984.
40. Paulson, S. E., and J. H. Seinfeld, Development and evaluation of a photooxidation mechanism for isoprene, J. Geophys. Res., 97, 20,703-20,715, 1992.
41. Paulson, S. E., R. C. Flagan, and J. H. Seinfeld, Atmospheric photooxidation of isoprene, part I, The hydroxyl radical and ground state atomic oxygen reactions, Int. J. Chem. Kinet., 24(1), 79-101, 1992.
42. Platz, J., J. Sehested, O. Nielsen, and T. Wallington, Atmospheric chemistry of cyclohexane: UV spectra of c-C6H11 and (c-C6H11)O-2 radicals, kinetics of the reactions of (c-C6H11)O-2 radicals with NO and NO2, and the fate of the alkoxy radical (c-C6H11)O, J. Phys. Chem. A, 103(15), 2688-2695, 1999.
43. Poisson, N., M. Kanakidou, and P. J. Crutzen, Impact of non-methane hydrocarbons on tropospheric chemistry and the oxidizing power of the global troposphere: 3-dimensional modelling results, J. Atmos. Chem., 36(2), 157-230, 2000.
44. Rothman, L. S., et al., The 1996 HITRAN molecular spectroscopic database and HAWKS (HITRAN atmospheric workstation), J. Quant. Spectrosc. Radiat. Transfer, 60(5), 665-710, 1998.
45. Ruppert, L., and K. H. Becker, A product study of the OH radical-initiated oxidation of isoprene: Formation of C5-unsaturated diols, Atmos. Environ., 34(10), 1529-1542, 2000.
46. Starn, T. K., P. B. Shepson, S. B. Bertman, J. S. White, B. G. Splawn, D. D. Riemer, R. G. Zika, and K. Olszyna, Observations of isoprene chemistry and its role in ozone production at a semirural site during the 1995 Southern Oxidants Study, J. Geophys. Res., 103, 22,425-22,435, 1998.
47. 2 ratios during the Tropospheric OH Photochemistry Experiment: Measurement and theory, J. Geophys. Res., 102, 6379-6391, 1997.
48. 2 + NO reaction system, Int. J. Chem. Kinet., 31, 637-643, 1999.
49. Stevens, P. S., E. Seymour, and Z. Li, Theoretical and experimental studies of the reaction of OH with isoprene, J. Phys. Chem. A, 104, 5989-5997, 2000.
50. Tuazon, E. C., and R. Atkinson, A product study of the gas-phase reaction of methyl vinyl ketone with the OH radical in the presence of NOx, Int. J. Chem. Kinet., 21(12), 1141-1152, 1989.
51. Tuazon, E. C., and R. Atkinson, Product study of the gas-phase reaction of isoprene with the OH radical in the presence of NOx, Int. J. Chem. Kinet., 22(12), 1221-1236, 1990a.
52. Tuazon, E. C., and R. Atkinson, A product study of the gas-phase reaction of methacrolein with the OH radical in the presence of NOx, Int. J. Chem. Kinet., 22(6), 591-602, 1990b.
53. 3 radicals, Environ. Sci. Technol., 33(20), 3586-3595, 1999.
54. U.S. Department of Health and Human Services, Ninth Report on Carcinogens, 1,3-butadiene, p. III-14, 2001.
55. Yu, J., H. E. Jeffries, and R. M. Le Lacheur, Identifying airborne carbonyl compounds in isoprene atmospheric photooxidation products by their PFBHA oximes using gas chromatography/ion trap mass spectrometry, Environ. Sci. Technol., 29(8), 1923-1932, 1995.
56. Zhang, R., I. Suh, W. Lei, A. D. Clinkenbeard, and S. W. North, Kinetic studies of OH-initiated reactions of isoprene, J. Geophys. Res., 105, 24,627-24,635, 2000.