Quantum mechanical study of photodissociation of oriented ClNO(S₁)

Abstract

We report a full-dimensional, quantum mechanical study of the photodissociation dynamics of ClNO(S₁) with the complete (JMK) selection of the parent state. Total cross-sections, product-state distributions, and photofragment angular distributions are computed. The influence of the parent rotation and orientation on the dissociation dynamics is analysed. The calculations were carried out using a time-independent propagation method based on Chebyshev polynomials, which combines the accuracy and efficiency essential for the type of problem considered.

References

1. P. R. Brooks, Science, 1976, 193, 11.
2. D. H. Parker and R. B. Bernstein, Annu. Rev. Phys. Chem., 1989, 40, 561.
3. F. Harren, D. H. Parker and S. Stolte, Comm. At. Mol. Phys., 1991, 26, 109.
4. C. T. Rettner and R. N. Zare, J. Chem. Phys., 1982, 77, 2416.
5. H. J. Loesch and A. Remscheid, J. Chem. Phys., 1990, 93, 4779.
6. B. Friedrich and D. R. Herschbach, Nature (London), 1991, 353, 412.
7. M. P. Sinha, C. D. Caldwell and R. N. Zare, J. Chem. Phys., 1974, 61, 491.
8. D. R. Pullman, B. Friedrich and D. R. Herschbach, J. Chem. Phys., 1990, 93, 3224.
9. C. Wittig, S. Sharpe and R. A. Beaudet, Acc. Chem. Res., 1988, 21, 341.
10. J. C. Polanyi and R. J. Williams, J. Chem. Phys., 1988, 88, 3363.
11. J. V. Setzler, H. Guo and G. C. Schatz, J. Phys. Chem. B, 1997, 101, 5352.
12. T. Seideman, J. Chem. Phys., 1995, 103, 7887.
13. B. Friedrich and D. Herschbach, Chem. Phys. Lett., 1996, 262, 41.
14. G. G. Balint-Kurti and M. Shapiro, Chem. Phys., 1981, 61, 137.
15. G. G. Balint-Kurti and M. Shapiro, in Photodissociation and Photoionization, ed. K. P. Lawley, Wiley, 1985, p. 403.
16. S. R. Gandhi, T. J. Curtiss and R. B. Bernstein, Phys. Rev. Lett., 1987, 59, 2951.
17. D. Y. Kim, N. Brandstater, L. Pipes, T. Garner and D. Baugh, J. Phys. Chem., 1995, 99, 4364.
18. J. W. G. Mastenbroek, C. A. Taatjes, K. Nauta, M. H. M. Janssen and S. Stolte, J. Phys. Chem., 1995, 99, 4360.
19. T. Seideman, J. Chem. Phys., 1995, 102, 6487.
20. E. A. Torres, D. Y. Kim, L. C. Pipes, D. A. Baugh and T. Seideman, J. Chem. Soc., Faraday Trans., 1997, 93, 931.
21. C. H. Greene and R. N. Zare, Annu. Rev. Phys. Chem., 1982, 33, 119.
22. M. D. Morse, Y. B. Band and K. F. Freed, J. Chem. Phys., 1983, 78, 6066.
23. J. A. Beswick, M. Glass-Maujean and O. Roncero, J. Chem. Phys., 1992, 96, 7514.
24. H. Wei and T. Carrington, J. Chem. Phys., 1996, 105, 141.
25. T. Seideman, J. Chem. Phys., 1995, 103, 10556.
26. T. Seideman, Chem. Phys. Lett., 1996, 253, 279.
27. H. Guo, J. Chem. Phys., 1998, 108, 2466.
28. C. X. W. Qian, A. Ogai, J. Brandon, Y. Y. Bai and H. Reisler, J. Phys. Chem., 1991, 95, 6763.
29. C. X. W. Qian and H. Reisler, in Advances in Molecular Vibrations and Collision Dynamics, ed. J. M. Bowman, JAI, Greenwich, 1991, vol. 1.
30. Y. Y. Bai, A. Ogai, C. X. W. Qian, L. Iwata, G. A. Segal and H. Reisler, J. Chem. Phys., 1989, 90, 3909.
31. A. E. Bruno, U. Bruhlmann and J. R. Huber, Chem. Phys., 1988, 120, 155.
32. A. Ticktin, A. E. Bruno, U. Bruhlmann and J. R. Huber, Chem. Phys., 1988, 125, 403.
33. A. Ogai, C. X. W. Qian, L. Iwata and H. Reisler, Chem. Phys. Lett., 1988, 146, 367.
34. A. Ogai, C. X. W. Qian and H. Reisler, J. Chem. Phys., 1990, 93, 1107.
35. J. R. Huber and R. Schinke, J. Phys. Chem., 1993, 97, 3463.
36. R. Schinke, M. Nonella, H. U. Suter and J. R. Huber, J. Chem. Phys., 1990, 93, 1098.
37. A. Untch, K. Weide and R. Schinke, J. Chem. Phys., 1991, 95, 6496.
38. U. Manthe, H-D. Meyer and L. S. Cederbaum, J. Chem. Phys., 1992, 97, 3199.
39. A. Vegiri, A. Untch and R. Schinke, J. Chem. Phys., 1992, 96, 3688.
40. H. Grinberg, K. F. Freed and C. J. Williams, J. Chem. Phys., 1997, 107, 1849.
41. D. Baugh, personal communication.
42. R. T. Pack, J. Chem. Phys., 1974, 60, 633.
43. A. R. Edmonds, Angular Momentum in Quantum Mechanics, Princeton University Press, Princeton, NJ, 1960.
44. P. McGuire and D. J. Kouri, J. Chem. Phys., 1974, 60, 2488.
45. M. Tamir and M. Shapiro, Chem. Phys. Lett., 1975, 31, 166.
46. G. C. Schatz and A. Kuppermann, J. Chem. Phys., 1976, 65, 4642.
47. M. Shapiro and G. G. Balint-Kurti, J. Chem. Phys., 1979, 71, 1461.
48. R. Chen and H. Guo, J. Chem. Phys., 1996, 105, 3569.
49. R. Chen and H. Guo, J. Chem. Phys., 1998, 108, 6068.
50. Y. Huang, W. Zhu, D. Kouri and D. K. Hoffman, Chem. Phys. Lett., 1993, 206, 96.
51. V. A. Mandelshtam and H. S. Taylor, J. Chem. Phys., 1995, 103, 2903.
52. S. K. Gray and G. G. Balint-Kurti, J. Chem. Phys., 1998, 108, 950.
53. H. Tal-Ezer and R. Kosloff, J. Chem. Phys., 1984, 81, 3967.
54. H. Guo, Chem. Phys. Lett., 1998, 289, 396.
55. J. C. Light, I. P. Hamilton and J. V. Lill, J. Chem. Phys., 1985, 82, 1400.
56. D. T. Colbert and W. H. Miller, J. Chem. Phys., 1992, 96, 1982.
57. G. C. Corey and D. Lemoine, J. Chem. Phys., 1992, 97, 4115.
58. J. K. McDonald, J. A. Merritt and V. F. Kalasinsky, J. Mol. Spectrosc., 1986, 117, 69.
59. R. Kosloff and H. Tal-Ezer, Chem. Phys. Lett., 1986, 127, 223.
60. R. Schinke and V. Engel, Faraday Discuss., Chem. Soc., 1986, 82, 125.
61. J. M. Bowman, Adv. Chem. Phys., 1985, 61, 115.
62. A. R. Offer and G. G. Balint-Kurti, J. Chem. Phys., 1994, 101, 10416.
63. R. Bershon and S. H. Lin, Adv. Chem. Phys., 1969, 16, 67.