Theoretical study of the unimolecular dissociation HO2→H+O2. II. Calculation of resonant states, dissociation rates, and O2 product state distributions

Journal of Chemical Physics

Volumn 104, Issue 21, 1996, Pages 8357-8381

  Dobbyn, Abigail J ^a,b   Stumpf, Michael ^a,c   Keller, Hans Martin ^a   Schinke, Reinhard ^a  

^a MAX PLANCK INSTITUTE FOR DYNAMICS AND SELF ORGANIZATION   (Germany)

^b DARESBURY LABORATORY   (United Kingdom)

^c UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0343950016     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.471587     Document Type: Article

References (89)

1. K. J. Laidler, Theories of Chemical Reaction Rates (McGraw-Hill, New York, 1969).
2. P. J. Robinson and K. A. Holbrook, Unimolecular Reactions (Wiley-Interscience, London, 1972).
3. W. Forst, Theory of Unimolecular Reactions (Academic, New York, 1973).
4. C. Cohen-Tannoudji, B. Diu, and F. Laloë, Quantum Mechanics (Wiley, New York, 1977), Vols. I and II.
5. V. I. Kukulin, K. M. Krasnopolsky, and J. Horáček, Theory of Resonances, Principles and Applications (Kluwer, Dordrecht, 1989).
6. R. Schinke, Photodissociation Dynamics (Cambridge U.P., Cambridge, 1993).
7. Resonances in Electron-Molecule Scattering, van der Waals Complexes, and Reactive Chemical Dynamics, edited by D. G. Truhlar (American Chemical Society, Washington, D.C., 1984).
8. R. Schinke, H.-M. Keller, M. Stumpf, and A. J. Dobbyn, J. Phys. B 28, 3081 (1995).
9. W. H. Miller, Chem. Rev. 87, 19 (1987).
10. W. H. Green, Jr., C. B. Moore, and W. F. Polik, Annu. Rev. Phys. Chem. 43, 591 (1992).
11. R. A. Marcus, J. Chem. Phys. 20, 359 (1952).
12. R. A. Marcus and O. K. Rice, J. Phys. Colloid Chem. 55, 894 (1951).
13. M. Quack and J. Troe, in Theoretical Chemistry, Vol. 6b: Theory of Scattering, edited by D. Henderson (Academic, New York, 1981).
14. J. Troe, in State-Selected and State-to-State Ion-Molecule Reaction Dynamics, Part 2: Theory, edited by M. Bear and C. Y. Ng (Wiley, New York, 1992).
15. F. H. Mies, J. Chem. Phys. 51, 787 (1969).
16. F. H. Mies, J. Chem. Phys. 51, 798 (1969).
17. J. M. Bowman, J. Phys. Chem. 90, 3492 (1986).
18. T. A. Brody, J. Flores, J. B. French, P. A. Mello, A. Pandey, and S. S. M. Wong, Rev. Mod. Phys. 53, 385 (1981).
19. R. D. Levine, Adv. Chem. Phys. 70, Part 1, 53 (1988).
20. R. D. Levine, Ber. Bunsenges. Phys. Chem. 92, 222 (1988).
21. W. F. Polik, C. B. Moore, and W. H. Miller, J. Chem. Phys. 89, 3584 (1988).
22. W. F. Polik, D. R. Guyer, W. H. Miller, and C. B. Moore, J. Chem. Phys. 92, 3471 (1989).
23. W. H. Miller, R. Hernandez, C. B. Moore, and W. F. Polik, J. Chem. Phys. 93, 5657 (1990).
24. M. J. Davis, J. Phys. Chem. 92, 3124 (1988).
25. B. A. Waite and W. H. Miller, J. Chem. Phys. 73, 3713 (1980).
26. U. Peskin, H. Reisler, and W. H. Miller, J. Chem. Phys. 101, 9672 (1994).
27. U. Peskin, W. H. Miller, and H. Reisler, J. Chem. Phys. 102, 8874 (1995).
28. K. Someda, H. Nakamura, and F. H. Mies, Chem. Phys. 187, 195 (1994).
29. K. Someda, H. Nakamura, and F. H. Mies, Prog. Theor. Phys. 116, 443 (1994).
30. R. T Pack, E. A. Butcher, and G. A. Parker, J. Chem. Phys. 99, 9310 (1993).
31. R. T Pack, E. A. Butcher, and G. A. Parker, J. Chem. Phys. 102, 5998 (1995).
32. D. H. Zhang and J. Z. H. Zhang, J. Chem. Phys. 101, 3671 (1994).
33. C. Leforestier and W. H. Miller, J. Chem. Phys. 100, 733 (1994).
34. A. J. Dobbyn, M. Stumpf, H.-M. Keller, and R. Schinke, J. Chem. Phys. 103, 9947 (1995).
35. M. R. Pastrana, L. A. M. Quintales, J. Brandão, and A. J. C. Varandas, J. Phys. Chem. 94, 8073 (1990).
36. B. Kendrick and R. T Pack, Chem. Phys. Lett. 235, 291 (1995).
37. V. A. Mandelshtam, T. P. Grozdanov, and H. S. Taylor, J. Chem. Phys. 103, 10079 (1995).
38. J. Z. H. Zhang (private communication).
39. R. K. Nesbet, Variational Methods In Electron-Atom Scattering Theory (Plenum, New York, 1980).
40. W. Kohn, Phys. Rev. 74, 1763 (1948).
41. D. E. Manolopuolos, M. D'Mello, and R. E. Wyatt, J. Chem. Phys. 91, 6096 (1989).
42. D. E. Manolopuolos, M. D'Mello, and R. E. Wyatt, J. Chem. Phys. 93, 403 (1990).
43. H.-M. Keller and R. Schinke (in preparation).
44. E. P. Wigner and L. Eisenbud, Phys. Rev. 72, 29 (1947).
45. R. S. Oberoi and R. K. Nesbet, Phys. Rev. A8, 215 (1973).
46. R. Loudon, The Quantum Theory of Light (Oxford U.P., Oxford, 1983).
47. Molecular Dynamics and Spectroscopy by Stimulated Emission Pumping, edited by H.-L. Dai and R. W. Field (World Scientific, Singapore, 1994).
48. A. J. Dobbyn, M. Stumpf, H.-M. Keller, W. L. Hase, and R. Schinke, J. Chem. Phys. 102, 5867 (1995).
49. H. S. Taylor, Adv. Chem. Phys. 18, 91 (1970).
50. E. S. Severin, B. C. Freasier, N. D. Hamer, D. L. Jolly, and S. Nordholm, Chem. Phys. Lett. 57, 117 (1978).
51. G. Nyman, S. Nordholm, and H. W. Schranz, J. Chem. Phys. 93, 6767 (1990).
52. R. S. Dumont, J. Chem. Phys. 96, 2203 (1992).
53. D. L. Bunker, J. Chem. Phys. 37, 393 (1962).
54. N. C. Blais and D. L. Bunker, J. Chem. Phys. 37, 2713 (1962).
55. W. L. Hase, in Modern Theoretical Chemistry, Dynamics of Molecular Collisions, edited by W. H. Miller (Plenum, New York, 1976), Part B.
56. M. Berblinger and C. Schlier, J. Chem. Phys. 101, 4750 (1994).
57. A. J. Anderson, J. Chem. Phys. 58, 4684 (1973).
58. I. W. M. Smith, in Modern Gas Kinetics. Theory, Experiment and Application, edited by M. J. Pilling and I. W. M. Smith (Blackwell Scientific, Oxford, 1987).
59. W. Chen, W. L. Hase, and H. B. Schlegal, Chem. Phys. Lett. 228, 437 (1994).
60. Y. Chang, C. Minichino, and W. H. Miller, J. Chem. Phys. 96, 4341 (1992).
61. W. L. Hase, Acc. Chem. Res. 16, 258 (1983).
62. D. M. Wardlaw and R. A. Marcus, Adv. Chem. Phys. 70, 231 (1988).
63. M. Quack and J. Troe, Ber. Bunsenges. Phys. Chem. 78, 240 (1974).
64. M. von Dirke, B. Heumann, K. Kühl, T. Schröder, and R. Schinke, J. Chem. Phys. 101, 2051 (1994).
65. T. Ericson and T. Mayer-Kuckuk, Annu. Rev. Nuc. Sci. 16, 183 (1966).
66. S. A. Reid, D. C. Robie, and H. Reisler, J. Chem. Phys. 100, 4256 (1994).
67. S. A. Reid and H. Reisler, J. Chem. Phys. 101, 5683 (1994).
68. A. Geers, J. Kappert, F. Temps, and J. W. Wiebrecht, J. Chem. Phys. 99, 2271 (1993).
69. F. Temps, in Molecular Dynamics and Spectroscopy by Stimulated Emission Pumping, edited by H.-L. Dai and R. W. Field (World Scientific, Singapore, 1994).
70. A. Alt, H.-D. Gräf, H. L. Harney, R. Hofferbert, H. Lengeler, A. Richter, P. Schardt, and H. A. Weidenmüller, Phys. Rev. Lett. 74, 62 (1995).
71. C. E. Porter and R. G. Thomas, Phys. Rev. 104, 483 (1956).
72. G. Z. Whitten and B. S. Rabinovitch, J. Chem. Phys. 38, 2466 (1963).
73. W. L. Hase and D. G. Buckowski, J. Comp. Chem. 3, 335 (1982).
74. R. Schinke, A. Untch, H. U. Suter, and J. R. Huber, J. Chem. Phys. 94, 7929 (1991).
75. H. Reisler, H.-M. Keller, and R. Schinke, Comm. At. Mol. Phys. 30, 191 (1994).
76. M. Hunter, S. A. Reid, D. C. Robie, and H. Reisler, J. Chem. Phys. 99, 1093 (1993).
77. P. Pechukas and J. C. Light, J. Chem. Phys. 42, 3285 (1965).
78. P. Pechukas, J. C. Light, and C. Rankin, J. Chem. Phys. 44, 794 (1966).
79. J. C. Light, Discuss. Faraday Soc. 44, 14 (1967).
80. C. E. Klots, J. Phys. Chem. 75, 1526 (1971).
81. C. E. Klots, J. Chem. Phys. 64, 4269 (1976).
82. R. Schinke, R. L. Vander Wal, J. L. Scott, and F. F. Crim, J. Chem. Phys. 94, 283 (1991).
83. M.-A. Thelen, T. Geju, J. A. Harrison, and J. R. Huber, J. Chem. Phys. 103, 7946 (1995).
84. D.-H. Lu and W. L. Hase, J. Phys. Chem. 93, 1681 (1989).
85. W. H. Miller, J. Phys. Chem. 92, 4261 (1988).
86. W. L. Hase, S.-W. Cho, D.-H. Lu, and K. N. Swamy, Chem. Phys. 139, 1 (1989).
87. D. L. Bunker and W. L. Hase, J. Chem. Phys. 59, 4621 (1973).
88. K. F. Freed and A. Nitzan, J. Chem. Phys. 73, 4765 (1980).
89. G. H. Peslherbe and W. L. Hase, J. Chem. Phys. 101, 8535 (1994).