Unimolecular dissociation dynamics of highly vibrationally excited DCO (X̃ 2A′). II. Calculation of resonance energies and widths and comparison with high-resolution spectroscopic data

Journal of Chemical Physics

Volumn 106, Issue 13, 1997, Pages 5359-5378

  Keller, Hans Martin ^a   Stumpf, Michael ^a,d   Schröder, Thomas ^a   Stöck, Christoph ^a   Temps, Friedrich ^a,e   Schinke, Reinhard ^a   Werner, Hans Joachim ^b   Bauer, Cornelia ^c,f   Rosmus, Pavel ^c,g  

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

^b UNIVERSITY OF STUTTGART   (Germany)

^c GOETHE UNIVERSITY   (Germany)

^d UNIVERSITY OF OXFORD   (United Kingdom)

^e UNIVERSITY OF KIEL   (Germany)

^f MITSUBISHI CHEMICAL CORPORATION   (Japan)

^g UNIVERSITÉ GUSTAVE EIFFEL   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001260949     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473599     Document Type: Article

References (50)

1. D. W. Neyer and P. L. Houston, in The Chemical Dynamics and Kinetics of Small Radicals, edited by K. Liu and A. Wagner (World Scientific, Singapore, 1994).
2. W. H. Miller, Chem. Rev. 87, 19 (1987).
3. W. H. Green, Jr., C. B. Moore, and W. F. Polik, Annu. Rev. Phys. Chem. 43, 591 (1992).
4. T. Baer and W. L. Hase, Unimolecular Reaction Dynamics (Oxford University, Oxford, 1996).
5. C. Stöck, X. Li, H.-M. Keller, R. Schinke, and F. Temps, J. Chem. Phys. 106, 5333 (1997), preceding article.
6. Molecular Dynamics and Spectroscopy by Stimulated Emission Pumping, edited by H.-L. Dai and R. W. Field (World Scientific, Singapore, 1995).
7. J. M. Bowman, B. Gazdy, S.-W. Cho, and A. F. Wagner, J. Chem. Phys. 94, 4192 (1991).
8. S.-W. Cho, A. F. Wagner, B. Gazdy, and J. M. Bowman, J. Chem. Phys. 96, 2799 (1992).
9. D. Wang and J. M. Bowman, J. Chem. Phys. 100, 1021 (1994).
10. D. Wang and J. M. Bowman, Chem. Phys. Lett. 235, 277 (1995).
11. T. P. Grozdanov, V. A. Mandelshtam, and H. S. Taylor, J. Chem. Phys. 103, 7990 (1995).
12. V. Ryaboy and N. Moiseyev, J. Chem. Phys. 103, 4061 (1995).
13. R. N. Dixon, J. Chem. Soc. Faraday Trans. 88, 2575 (1992).
14. S. K. Gray, J. Chem. Phys. 96, 6543 (1992).
15. J. M. Bowman, J. S. Bittman, and L. B. Harding, J. Chem. Phys. 85, 911 (1986).
16. H. Romanowski, K.-T. Lee, J. M. Bowman, and L. B. Harding, J. Chem. Phys. 84 0000 (1986).
17. J. D. Tobiason, J. R. Dunlop, and E. A. Rohlfing, J. Chem. Phys. 103, 1448 (1995).
18. H.-J. Werner, C. Bauer, P. Rosmus, H.-M. Keller, M. Stumpf, and R. Schinke, J. Chem. Phys. 102, 3593 (1995).
19. H.-M. Keller, H. Floethmann, A. J. Dobbyn, R. Schinke, H.-J. Werner, C. Bauer, and P. Rosmus, J. Chem. Phys. 105, 4983 (1996).
20. D. W. Neyer, X. Luo, I. Burak, and P. L. Houston, J. Chem. Phys. 102, 1645 (1995).
21. H.-M. Keller and R. Schinke, J. Chem. Soc. Faraday Trans. (to be published).
22. S. Green, H.-M. Keller. R. Schinke, and H.-J.Werner, J. Chem. Phys. 105, 5416 (1996).
23. R. Schinke, Photodissociation Dynamics (Cambridge University, Cambridge, 1993).
24. A. J. Dobbyn, M. Stumpf, H.-M. Keller, and R. Schinke, J. Chem. Phys. 104, 8357 (1996).
25. H.-M. Keller and R. Schinke (in preparation).
26. A. J. Dobbyn, M. Stumpf, H.-M. Keller, and R. Schinke, J. Chem. Phys. 103, 9947 (1995).
27. Because of an upgrade of the memory of our workstation the final basis was significantly larger in the HCO calculations, which were done after the DCO study. Because of the large amount of human work required to analyze the spectra for J = 0 and 1 we did not repeat the DCO calculations with a larger basis.
28. J. D. Tobiason, J. R. Dunlop, and E. A. Rohlfing, Chem. Phys. Lett. 235, 268 (1995).
29. X.-M. Song and T. Cool, J. Chem. Phys. 96, 8664 (1992).
30. G. Rumbles, E. K. C. Lee, and J. J. Valentini, J. Chem. Soc. Faraday Trans. 86, 3837 (1990).
31. R. N. Zare, Angular Momentum (Wiley, New York, 1988).
32. R. S. Lowe and A. R. W. McKellar, J. Chem. Phys. 74, 2686 (1981).
33. R. N. Dixon, Trans. Faraday Soc. 564, 3141 (1969).
34. M. E. Kellman, in Molecular Dynamics and Spectroscopy by Stimulated Emission Pumping, edited by H.-L. Dai and R. W. Field (World Scientific, Singapore, 1995).
35. M. E. Kellman, Annu. Rev. Phys. Chem. 46, 395 (1995).
36. M. S. Child and L. Halonen, Adv. Chem. Phys. 57, 1 (1984).
37. M. S. Child, Acc. Chem. Res. 18, 45 (1985).
38. J. Svitak, Z. Li, J. Rose, and M. E. Kellman, J. Chem. Phys. 102, 4340 (1995).
39. J. M. Gomez Llorente and E. Pollak, Annu. Rev. Phys. Chem. 43, 91 (1992).
40. E. J. Heller and S. Tomsovic, Phys. Today 64, No. 7 (1993).
41. P. Gaspard, D. Alonso, and I. Burghardt, Adv. Chem. Phys. XC, 105 (1995).
42. J. P. Rose and M. E. Kellmann, J. Chem. Phys. 105, 10743 (1996).
43. D. M. Jonas, S. A. B. Solina, B. Rajaram, R. J. Silbey, R. W. Field, K. Yamanouchi, and S. Tsuchiya, J. Chem. Phys. 99, 7350 (1993).
44. S. K. Gray and M. S. Child, Mol. Phys. 53, 961 (1984).
45. L. Xiao and M. E. Kellman, J. Chem. Phys. 90, 6086 (1989).
46. Z. Lu and M. E. Kellman, Chem. Phys. Lett. 247, 195 (1995).
47. J. P. Rose and M. E. Kellmann, J. Chem. Phys. 105, 7348 (1996).
48. W. L. Hase, S.-W. Cho, D.-H. Lu, and K. N. Swamy, Chem. Phys. 139, 1 (1989).
49. R. G. Gilbert and S. C. Smith, Theory of Unimolecular and Recombination Reactions (Blackwell, Oxford, 1990).
50. D. M. Wardlaw and R. A. Marcus, Adv. Chem. Phys. 70, 231 (1988).