Observation of a transition state resonance in the integral cross section of the F+HD reaction

Journal of Chemical Physics

Volumn 112, Issue 10, 2000, Pages 4536-4552

  Skodje, Rex T ^a,b   Skouteris, Dimitris ^c   Manolopoulos, David E ^c   Lee, Shih Huang ^a   Dong, Feng ^a   Liu, Kopin ^a  

^a INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES   (Taiwan)

^b UNIVERSITY OF COLORADO   (United States)

^c UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001622343     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481041     Document Type: Article

References (86)

1. J. B. Anderson, Adv. Chem. Phys. 41, 229 (1980).
2. Resonances in Electron-Molecule Scattering, van der Waals Complexes, and Reactive Chemical Dynamics, edited by D. G. Truhlar, ACS Symposium Series Vol. 263 (1984); J. N. L. Connor, W. Jakubetz, and J. Manz, Mol. Phys. 35, 1301 (1978); J. C. Polanyi and D. C. Tardy, J. Chem. Phys. 51, 5717 (1969). J. H. Parker and G. C. Pimintel, ibid. 51, 91 (1969).
3. Resonances in Electron-Molecule Scattering, van der Waals Complexes, and Reactive Chemical Dynamics, edited by D. G. Truhlar, ACS Symposium Series Vol. 263 (1984); J. N. L. Connor, W. Jakubetz, and J. Manz, Mol. Phys. 35, 1301 (1978); J. C. Polanyi and D. C. Tardy, J. Chem. Phys. 51, 5717 (1969). J. H. Parker and G. C. Pimintel, ibid. 51, 91 (1969).
4. Resonances in Electron-Molecule Scattering, van der Waals Complexes, and Reactive Chemical Dynamics, edited by D. G. Truhlar, ACS Symposium Series Vol. 263 (1984); J. N. L. Connor, W. Jakubetz, and J. Manz, Mol. Phys. 35, 1301 (1978); J. C. Polanyi and D. C. Tardy, J. Chem. Phys. 51, 5717 (1969). J. H. Parker and G. C. Pimintel, ibid. 51, 91 (1969).
5. Resonances in Electron-Molecule Scattering, van der Waals Complexes, and Reactive Chemical Dynamics, edited by D. G. Truhlar, ACS Symposium Series Vol. 263 (1984); J. N. L. Connor, W. Jakubetz, and J. Manz, Mol. Phys. 35, 1301 (1978); J. C. Polanyi and D. C. Tardy, J. Chem. Phys. 51, 5717 (1969). J. H. Parker and G. C. Pimintel, ibid. 51, 91 (1969).
6. D. M. Neumark, A. M. Wodtke, G. N. Robinson, C. C. Hayden, and Y. T. Lee, J. Chem. Phys. 82, 3045 (1985); D. M. Neumark, A. M. Wodtke, G. N. Robinson, C. C. Hayden, K. Shobatake, R. K. Sparks, T. P. Schafer, and Y. T. Lee, ibid. 82, 3067 (1985).
7. D. M. Neumark, A. M. Wodtke, G. N. Robinson, C. C. Hayden, and Y. T. Lee, J. Chem. Phys. 82, 3045 (1985); D. M. Neumark, A. M. Wodtke, G. N. Robinson, C. C. Hayden, K. Shobatake, R. K. Sparks, T. P. Schafer, and Y. T. Lee, ibid. 82, 3067 (1985).
8. M. Faubel, S. Schlemmer, F. Sondermann, U. Tappe, and J. P. Toennies, J. Chem. Phys. 94, 4676 (1991); M. Faubel, L. Rusin, S. Schlemmer, F. Sondermann, U. Tappe, and J. P. Toennies, ibid. 101, 2106 (1994); G. Dharmasena, K. Copeland, J. H. Young, R. A. Lasell, T. R. Phillips, G. A. Parker, and M. Keil, J. Phys. Chem. 101, 6429 (1997); J. Chem. Phys. 106, 9950 (1997).
9. M. Faubel, S. Schlemmer, F. Sondermann, U. Tappe, and J. P. Toennies, J. Chem. Phys. 94, 4676 (1991); M. Faubel, L. Rusin, S. Schlemmer, F. Sondermann, U. Tappe, and J. P. Toennies, ibid. 101, 2106 (1994); G. Dharmasena, K. Copeland, J. H. Young, R. A. Lasell, T. R. Phillips, G. A. Parker, and M. Keil, J. Phys. Chem. 101, 6429 (1997); J. Chem. Phys. 106, 9950 (1997).
10. M. Faubel, S. Schlemmer, F. Sondermann, U. Tappe, and J. P. Toennies, J. Chem. Phys. 94, 4676 (1991); M. Faubel, L. Rusin, S. Schlemmer, F. Sondermann, U. Tappe, and J. P. Toennies, ibid. 101, 2106 (1994); G. Dharmasena, K. Copeland, J. H. Young, R. A. Lasell, T. R. Phillips, G. A. Parker, and M. Keil, J. Phys. Chem. 101, 6429 (1997); J. Chem. Phys. 106, 9950 (1997).
11. M. Faubel, S. Schlemmer, F. Sondermann, U. Tappe, and J. P. Toennies, J. Chem. Phys. 94, 4676 (1991); M. Faubel, L. Rusin, S. Schlemmer, F. Sondermann, U. Tappe, and J. P. Toennies, ibid. 101, 2106 (1994); G. Dharmasena, K. Copeland, J. H. Young, R. A. Lasell, T. R. Phillips, G. A. Parker, and M. Keil, J. Phys. Chem. 101, 6429 (1997); J. Chem. Phys. 106, 9950 (1997).
12. F. J. Aoiz, L. Banares, V. J. Herrero, V. Saez Ravanos, K. Stark, and H.-J. Werner, J. Phys. Chem. 98, 10665 (1994); J. Chem. Phys. 102, 9248 (1994).
13. F. J. Aoiz, L. Banares, V. J. Herrero, V. Saez Ravanos, K. Stark, and H.-J. Werner, J. Phys. Chem. 98, 10665 (1994); J. Chem. Phys. 102, 9248 (1994).
14. J. F. Castillo, D. E. Manolopoulos, K. Stark, and H.-J. Werner, J. Chem. Phys. 104, 6531 (1996).
15. G. S. Schatz, Annu. Rev. Phys. Chem. 39, 317 (1988).
16. W. H. Miller and J. Z. H. Zhang, J. Phys. Chem. 95, 12 (1991).
17. H. Feshbach, Theoretical Nuclear Physics (Wiley, New York, 1992).
18. D. A. Kliner, D. E. Adelman, and R. N. Zare, J. Chem. Phys. 94, 1069 (1991).
19. J. Z. H. Zhang and W. H. Miller, J. Chem. Phys. 91, 1528 (1989).
20. S. E. Bradforth, D. W. Arnold, D. M. Neumark, and D. E. Manolopoulos, J. Chem. Phys. 99, 6345 (1993); A. Weaver and D. M. Neumark, Faraday Discuss. Chem. Soc. 91, 5 (1991).
21. S. E. Bradforth, D. W. Arnold, D. M. Neumark, and D. E. Manolopoulos, J. Chem. Phys. 99, 6345 (1993); A. Weaver and D. M. Neumark, Faraday Discuss. Chem. Soc. 91, 5 (1991).
22. D. E. Manolopoulos, K. Stark, H.-J. Werner, D. W. Arnold, S. E. Bradforth, and D. M. Neumark, Science 262, 1852 (1993).
23. R. T. Skodje, R. Sadeghi, and J. L. Krause, J. Chem. Soc., Faraday Trans. 93, 765 (1997).
24. I. M. Waller, T. N. Kitsopoulos, and D. M. Neumark, J. Phys. Chem. 94, 2240 (1990).
25. S.-F. Wu, R. B. Johnson, and R. D. Levine, Mol. Phys. 25, 839 (1973).
26. G. S. Schatz, J. M. Bowman, and A. Kuppermann, J. Chem. Phys. 63, 674 (1975); 63, 685 (1975).
27. G. S. Schatz, J. M. Bowman, and A. Kuppermann, J. Chem. Phys. 63, 674 (1975); 63, 685 (1975).
28. D. G. Truhlar and A. Kuppermann, J. Chem. Phys. 56, 2232 (1972); J. M. Launay and M. LeDourneuf, J. Phys. B 15, L455 (1982); J. M. Launay and B. Lepetit, Chem. Phys. Lett. 144, 346 (1988).
29. D. G. Truhlar and A. Kuppermann, J. Chem. Phys. 56, 2232 (1972); J. M. Launay and M. LeDourneuf, J. Phys. B 15, L455 (1982); J. M. Launay and B. Lepetit, Chem. Phys. Lett. 144, 346 (1988).
30. D. G. Truhlar and A. Kuppermann, J. Chem. Phys. 56, 2232 (1972); J. M. Launay and M. LeDourneuf, J. Phys. B 15, L455 (1982); J. M. Launay and B. Lepetit, Chem. Phys. Lett. 144, 346 (1988).
31. K. Stark and H.-J. Werner, J. Chem. Phys. 104, 6515 (1996).
32. F. J. Aoiz, L. Banares, V. J. Herrero, V. Saez Rabanos, K. Stark, I. Tanarro, and H.-J. Werner, Chem. Phys. Lett. 262, 175 (1996); F. J. Aoiz, L. Banares, V. J. Herrero, V. Saez Rabanos, K. Stark, and H.-J. Werner, J. Chem. Phys. 102, 9248 (1995).
33. F. J. Aoiz, L. Banares, V. J. Herrero, V. Saez Rabanos, K. Stark, I. Tanarro, and H.-J. Werner, Chem. Phys. Lett. 262, 175 (1996); F. J. Aoiz, L. Banares, V. J. Herrero, V. Saez Rabanos, K. Stark, and H.-J. Werner, J. Chem. Phys. 102, 9248 (1995).
34. J. F. Castillo, B. Hartke, H.-J. Werner, F. J. Aoiz, L. Banares, and B. Martinez-Haya, J. Chem. Phys. 109, 7224 (1998).
35. J. F. Castillo and D. E. Manolopoulos, Faraday Discuss. 110, 119 (1998).
36. B. Hartke and H.-J. Werner, Chem. Phys. Lett. 280, 430 (1997); E. Rosenman, Z. Hockman-Kowal, A. Persky, and M. Baer, ibid. 257, 421 (1996); P. Honvaunt and J. M. Launey, ibid. 303, 657 (1999); M. Baer, ibid. 312, 203 (1999).
37. B. Hartke and H.-J. Werner, Chem. Phys. Lett. 280, 430 (1997); E. Rosenman, Z. Hockman-Kowal, A. Persky, and M. Baer, ibid. 257, 421 (1996); P. Honvaunt and J. M. Launey, ibid. 303, 657 (1999); M. Baer, ibid. 312, 203 (1999).
38. B. Hartke and H.-J. Werner, Chem. Phys. Lett. 280, 430 (1997); E. Rosenman, Z. Hockman-Kowal, A. Persky, and M. Baer, ibid. 257, 421 (1996); P. Honvaunt and J. M. Launey, ibid. 303, 657 (1999); M. Baer, ibid. 312, 203 (1999).
39. B. Hartke and H.-J. Werner, Chem. Phys. Lett. 280, 430 (1997); E. Rosenman, Z. Hockman-Kowal, A. Persky, and M. Baer, ibid. 257, 421 (1996); P. Honvaunt and J. M. Launey, ibid. 303, 657 (1999); M. Baer, ibid. 312, 203 (1999).
40. C. L. Russell and D. E. Manolopoulos, Chem. Phys. Lett. 223, 215 (1996).
41. R. E. Wyatt, J. F. McNutt, and M. J. Redmon, Ber. Bunsenges. Phys. Chem. 86, 437 (1982); T. C. Thompson and D. G. Truhlar, J. Phys. Chem. 88, 210 (1984); J. D. Kress, Z. Bacic, G. A. Parker, and R. T. Pack, Chem. Phys. Lett. 157, 484 (1989).
42. R. E. Wyatt, J. F. McNutt, and M. J. Redmon, Ber. Bunsenges. Phys. Chem. 86, 437 (1982); T. C. Thompson and D. G. Truhlar, J. Phys. Chem. 88, 210 (1984); J. D. Kress, Z. Bacic, G. A. Parker, and R. T. Pack, Chem. Phys. Lett. 157, 484 (1989).
43. R. E. Wyatt, J. F. McNutt, and M. J. Redmon, Ber. Bunsenges. Phys. Chem. 86, 437 (1982); T. C. Thompson and D. G. Truhlar, J. Phys. Chem. 88, 210 (1984); J. D. Kress, Z. Bacic, G. A. Parker, and R. T. Pack, Chem. Phys. Lett. 157, 484 (1989).
44. T. Takayanagi and Y. Kurosaki, J. Chem. Phys. 109, 8929 (1998).
45. Y.-T. Hsu, J.-H. Wang, and K. Liu, J. Chem. Phys. 107, 2351 (1997); S.-H. Lee and K. Liu, Chem. Phys. Lett. 290, 323 (1998).
46. Y.-T. Hsu, J.-H. Wang, and K. Liu, J. Chem. Phys. 107, 2351 (1997); S.-H. Lee and K. Liu, Chem. Phys. Lett. 290, 323 (1998).
47. W. B. Chapman, B. W. Blackmon, S. Nizkorodov, and D. J. Nesbitt, J. Chem. Phys. 109, 9306 (1998).
48. M. H. Alexander, H.-J. Werner, and D. E. Manolopoulos, J. Chem. Phys. 109, 5710 (1998).
49. S.-H. Lee and K. Liu, J. Chem. Phys. 111, 6253 (1999).
50. V. Aquilanti, R. Candori, D. Cappelletti, E. Luzzatti, and F. Pirani, Chem. Phys. 145, 293 (1990).
51. S.-H. Lee, F. Dong, and K. Liu (unpublished).
52. D. E. Manolopoulos, J. Chem. Soc., Faraday Trans. 93, 673 (1997), and references therein.
53. D. Skouteris, D. E. Manolopoulos, W. Bian, H.-J. Werner, L.-H. Lai, and K. Liu, Science 286, 1713 (1999).
54. Y.-T. Hsu and K. Liu, J. Chem. Phys. 107, 1664 (1997).
55. S.-H. Lee and K. Liu, J. Phys. Chem. 102, 8637 (1998).
56. J. M. Mestdagh, J. P. Visticont, and A. G. Suits, in The Dynamics and Kinetics of Small Radicals, edited by K. Liu and A. Wagner (World Scientific, Singapore, 1995), Vol. II, Chap. 6.
57. A closer examination reveals that the backward hemisphere is somewhat smaller than the forward component. Nevertheless, the main point here is the drastic change in the appearance of the ∥-Doppler profiles as a function of energy.
58. c = 1.35 and 1.98 kcal/mol) for which the calculations in Ref. 22 were performed.
59. R. T. Skodje, J. Chem. Phys. 95, 7234 (1991).
60. R. T. Skodje, Annu. Rev. Phys. Chem. 44, 145 (1993).
61. M. Gutzwiller, Chaos in Classical and Quantum Mechanics (Springer, New York, 1990); I. Burkhardt and P. Gaspard, J. Chem. Phys. 100, 6395 (1994).
62. M. Gutzwiller, Chaos in Classical and Quantum Mechanics (Springer, New York, 1990); I. Burkhardt and P. Gaspard, J. Chem. Phys. 100, 6395 (1994).
63. E. Pollak and M. S. Child, Chem. Phys. 63, 23 (1981).
64. R. Sadeghi and R. T. Skodje, J. Chem. Phys. 102, 193 (1995).
65. R. T. Skodje, R. Sadeghi, J. R. Krause, and H. Koppel, J. Chem. Phys. 101, 1725 (1994).
66. G. S. Schatz and A. Kuppermann, J. Chem. Phys. 65, 4642 (1975).
67. R. Sadeghi and R. T. Skodje, J. Chem. Phys. 98, 9208 (1993); 99, 5126 (1993); 102, 193 (1995); R. Sadeghi and R. T. Skodje, Phys. Rev. A 52, 1996 (1995); J. Chem. Phys. 105, 7504 (1996): R. Sadeghi, S. R. Gwaltney, J. L. Krause, R. T. Skodje, and P. W. Weber, ibid. 107, 6570 (1997); R. T. Skodje, R. Sadeghi, and J. L. Krause, Chem. Phys. 240, 129 (1999).
68. R. Sadeghi and R. T. Skodje, J. Chem. Phys. 98, 9208 (1993); 99, 5126 (1993); 102, 193 (1995); R. Sadeghi and R. T. Skodje, Phys. Rev. A 52, 1996 (1995); J. Chem. Phys. 105, 7504 (1996): R. Sadeghi, S. R. Gwaltney, J. L. Krause, R. T. Skodje, and P. W. Weber, ibid. 107, 6570 (1997); R. T. Skodje, R. Sadeghi, and J. L. Krause, Chem. Phys. 240, 129 (1999).
69. R. Sadeghi and R. T. Skodje, J. Chem. Phys. 98, 9208 (1993); 99, 5126 (1993); 102, 193 (1995); R. Sadeghi and R. T. Skodje, Phys. Rev. A 52, 1996 (1995); J. Chem. Phys. 105, 7504 (1996): R. Sadeghi, S. R. Gwaltney, J. L. Krause, R. T. Skodje, and P. W. Weber, ibid. 107, 6570 (1997); R. T. Skodje, R. Sadeghi, and J. L. Krause, Chem. Phys. 240, 129 (1999).
70. R. Sadeghi and R. T. Skodje, J. Chem. Phys. 98, 9208 (1993); 99, 5126 (1993); 102, 193 (1995); R. Sadeghi and R. T. Skodje, Phys. Rev. A 52, 1996 (1995); J. Chem. Phys. 105, 7504 (1996): R. Sadeghi, S. R. Gwaltney, J. L. Krause, R. T. Skodje, and P. W. Weber, ibid. 107, 6570 (1997); R. T. Skodje, R. Sadeghi, and J. L. Krause, Chem. Phys. 240, 129 (1999).
71. R. Sadeghi and R. T. Skodje, J. Chem. Phys. 98, 9208 (1993); 99, 5126 (1993); 102, 193 (1995); R. Sadeghi and R. T. Skodje, Phys. Rev. A 52, 1996 (1995); J. Chem. Phys. 105, 7504 (1996): R. Sadeghi, S. R. Gwaltney, J. L. Krause, R. T. Skodje, and P. W. Weber, ibid. 107, 6570 (1997); R. T. Skodje, R. Sadeghi, and J. L. Krause, Chem. Phys. 240, 129 (1999).
72. R. Sadeghi and R. T. Skodje, J. Chem. Phys. 98, 9208 (1993); 99, 5126 (1993); 102, 193 (1995); R. Sadeghi and R. T. Skodje, Phys. Rev. A 52, 1996 (1995); J. Chem. Phys. 105, 7504 (1996): R. Sadeghi, S. R. Gwaltney, J. L. Krause, R. T. Skodje, and P. W. Weber, ibid. 107, 6570 (1997); R. T. Skodje, R. Sadeghi, and J. L. Krause, Chem. Phys. 240, 129 (1999).
73. R. Sadeghi and R. T. Skodje, J. Chem. Phys. 98, 9208 (1993); 99, 5126 (1993); 102, 193 (1995); R. Sadeghi and R. T. Skodje, Phys. Rev. A 52, 1996 (1995); J. Chem. Phys. 105, 7504 (1996): R. Sadeghi, S. R. Gwaltney, J. L. Krause, R. T. Skodje, and P. W. Weber, ibid. 107, 6570 (1997); R. T. Skodje, R. Sadeghi, and J. L. Krause, Chem. Phys. 240, 129 (1999).
74. B. Jackson, M. Person, and B. D. Kay, J. Chem. Phys. 100, 7687 (1994); A. Isele, C. Meier, V. Engel, N. Fahrer, and Ch. Schlier, ibid. 101, 5919 (1994); S. Mahapatra and N. Sathyamurthy, ibid. 102, 6057 (1995); A. J. C. Varandas and H. G. Yu, Chem. Phys. Lett. 209, 31 (1996).
75. B. Jackson, M. Person, and B. D. Kay, J. Chem. Phys. 100, 7687 (1994); A. Isele, C. Meier, V. Engel, N. Fahrer, and Ch. Schlier, ibid. 101, 5919 (1994); S. Mahapatra and N. Sathyamurthy, ibid. 102, 6057 (1995); A. J. C. Varandas and H. G. Yu, Chem. Phys. Lett. 209, 31 (1996).
76. B. Jackson, M. Person, and B. D. Kay, J. Chem. Phys. 100, 7687 (1994); A. Isele, C. Meier, V. Engel, N. Fahrer, and Ch. Schlier, ibid. 101, 5919 (1994); S. Mahapatra and N. Sathyamurthy, ibid. 102, 6057 (1995); A. J. C. Varandas and H. G. Yu, Chem. Phys. Lett. 209, 31 (1996).
77. B. Jackson, M. Person, and B. D. Kay, J. Chem. Phys. 100, 7687 (1994); A. Isele, C. Meier, V. Engel, N. Fahrer, and Ch. Schlier, ibid. 101, 5919 (1994); S. Mahapatra and N. Sathyamurthy, ibid. 102, 6057 (1995); A. J. C. Varandas and H. G. Yu, Chem. Phys. Lett. 209, 31 (1996).
78. J. R. Taylor, Scattering Theory, Chap. 20.
79. S. L. Mielke, G. C. Lynch, D. W. Schwenke, and D. G. Truhlar, Chem. Phys. Lett. 217, 173 (1994).
80. G. S. Schatz, Science 262, 1828 (1993).
81. R. H. Bisseling, R. Kosloff, J. Manz, F. Mrugala, J. Romelt, and G. Weichselbaumer, J. Chem. Phys. 86, 2626 (1987).
82. J. M. Bowman, J. Phys. Chem. 95, 4960 (1991).
83. G. C. Schatz, D. Sokolovsky, and J. N. L. Connor, Discuss, Faraday Soc. 91, 17 (1991); J. Chem. Phys. 94, 4311 (1991).
84. G. C. Schatz, D. Sokolovsky, and J. N. L. Connor, Discuss, Faraday Soc. 91, 17 (1991); J. Chem. Phys. 94, 4311 (1991).
85. J. W. Johnson, H. Kornweitz, I. Schechter, A. Persky, B. Katz, R. Bersohn, and R. D. Levine, J. Chem. Phys. 94, 2749 (1991).
86. E. F. Hayes and R. B. Walker, J. Phys. Chem. 88, 3318 (1984).