Femtosecond real-time probing of reactions. 18. Experimental and theoretical mapping of trajectories and potentials in the NaI dissociation reaction

Journal of Physical Chemistry

Volumn 100, Issue 19, 1996, Pages 7832-7848

  Cong, P ^a,b   Roberts, G ^a,c   Herek, J L ^a   Mohktari, A ^a   Zewail, A H ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^b HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Hong Kong)

^c UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000662691     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9534038     Document Type: Article

References (129)

1. Imre, D.; Kinsey, J. L.; Sinha, A.; Krenos, J. J. Phys. Chem. 1984, 88, 3956.
2. Johnson, B. R.; Kinsey, J. L. In Femtosecond Chemistry; Manz, J., Wöste, L., Eds.; VCH: New York, 1994; Vol. 1, p 353.
3. Mokhtari, A.; Cong, P.; Herek, J. L.; Zewail, A. H. Nature 1990, 348, 225.
4. Manz, J., Wöste, L., Eds. Femtosecond Chemistry; VCH: New York, 1994; Vols. I and II.
5. Rose, T. S.; Rosker, M. J.; Zewail, A. H. J. Chem. Phys. 1988, 88, 6672.
6. Rosker, M. J.; Rose, T. S.; Zewail, A. H. Chem. Phys. Lett. 1988, 146, 175.
7. Zewail, A. H. J. Chem. Soc., Faraday Trans. 1989, 85, 1221.
8. Rose, T. S.; Rosker, M. J.; Zewail, A. H. J. Chem. Phys. 1989, 91, 7415.
9. Cong, P.; Mokhtari, A.; Zewail, A. H. Chem. Phys. Lett. 1990, 172, 109.
10. Zewail, A. H. Faraday Trans. Chem. Soc. 1991, 91, 207.
11. Zewail, A. H. Femtochemistry - Ultrafast Dynamics of the Chemical Bond; World Scientific: Singapore, 1994; Vols. I and II.
12. Zewail, A. H. In Femtosecond Chemistry, Manz, J., Wöste, L., Eds.; VCH: New York, 1994; Vol. 1, p 15.
13. Lin, S. H.; Fain, B.; Hamer, N. In Advances in Chemical Physics; Prigogine, I., Rice, S. A., Eds.; Wiley: New York, 1990; Vol. 74, pp 123-267.
14. Zare, R. N.; Herschbach, D. R. J. Mol. Spectrosc. 1965, 15, 462.
15. Schaefer, S. H.; Bender, D.; Tiemann, E. Chem. Phys. Lett. 1982, 92, 273.
16. Schaefer, S. H.; Bender, D.; Tiemann, E. Chem. Phys. 1984, 89, 65.
17. Moutinho, A. M.; Aten, J. A.; Los, J. Physica 1971, 53, 471.
18. Delvigne, G. A. L.; Los, J. Physica 1973, 67, 166.
19. Yamashita, K.; Morokuma, K. Faraday Discuss. Chem. Soc. 1991, 91, 47.
20. Sakai, Y.; Miyoshi, E.; Ano, T. Can. J. Chem. 1992, 70, 309.
21. Grice, R.; Herschbach, D. R. Mol. Phys. 1974, 27, 159.
22. Bersohn, R.; Zewail, A. H. Ber. Bunsen-Ges. Phys. Chem. 1988, 92, 373.
23. Bernstein, R. B.; Zewail, A. H. J. Chem. Phys. 1989, 90, 829.
24. Gruebele, M.; Roberts, G.; Dantus, M.; Bowman, R. M.; Zewail, A. H. Chem. Phys. Lett. 1990, 166, 459.
25. Bernstein, R. B.; Zewail, A. H. Chem. Phys. Lett. 1990, 170, 321.
26. Janssen, M. H. M.; Bowman, R. M.; Zewail, A. H. Chem. Phys. Lett. 1990, 172, 99.
27. Baskin, J. S.; Felker, P. M.; Zewail, A. H. J. Chem. Phys. 1986, 84, 4708.
28. Felker, P. M.; Baskin, J. S.; Zewail, A. H. J. Phys. Chem. 1986, 90, 724.
29. Felker, P. M.; Zewail, A. H. J. Chem. Phys. 1987, 86, 2460.
30. Baskin, J. S.; Zewail, A. H. J. Phys. Chem. 1989, 93, 5701.
31. The term "clocking" refers to timing a reaction with respect to a known zero of time.
32. Dantus, M.; Rosker, M. J.; Zewail, A. H. J. Chem. Phys. 1988, 89, 6128.
33. Rosker, M. J.; Dantus, M.; Zewail, A. H. Science 1988, 241, 1200.
34. Scherer, N. F.; Knee, J. L.; Smith, D. D.; Zewail, A. H. J. Phys. Chem. 1985, 89, 5141.
35. Rosker, M. J.; Dantus, M.; Zewail, A. H. J. Chem. Phys. 1988, 89, 6113.
36. Fried, L. E.; Mukamel, S. J. Chem. Phys. 1990, 93, 3063.
37. Beswick, J. A.; Jortner, J. Chem. Phys. Lett. 1990, 168, 246.
38. Davidovits, P.; Brodhead, D. C. J. Chem. Phys. 1967, 46, 2968.
39. Oppenheimer, M.; Berry, R. S. J. Chem. Phys. 1971, 54, 5058.
40. Bernstein, R. B. Chemical Dynamics via Molecular Beam and Laser Techniques; Clarendon Press: Oxford, 1982; Chapter 8, p 169.
41. Faist, M. B.; Levine, R. D. J. Chem. Phys. 1976, 64, 2953.
42. Bower, R. D.; Chevrier, P.; Das, P.; Foth, H. J.; Polanyi, J. C.; Prisant, M. G.; Visticot, J. J. Chem. Phys. 1988, 89, 4478.
43. Anderson, W. R.; Wilson, B. M.; Rose, T. L. Chem. Phys. Lett. 1977, 48, 284.
44. Anderson, W. R.; Wilson, B. M.; Omerod, R. C.; Rose, T. L. J. Chem. Phys. 1981, 74, 3295.
45. Early spectroscopic work on NaI includes: Franck, J.; Kuhn, H.; Rollefson, G. Z. Phys. 1927, 43, 155.
46. Hognes, T. R.; Franck, J. Z. Phys. 1927, 44, 26.
47. Sommermeyer, K. Z. Phys. 1929, 56, 548.
48. Butler, H.; Levi, H. Elektrochem. Angew. Phys. Chem. A 1931, 8, 1.
49. Butler, H.; Levi, H. Z. Phys. Chem. B 1934, 24, 263.
50. These and other NaI investigations conducted in the intervening period prior to 1979 have been reviewed by: Berry, R. S. In Alkali Halide Vapors; Davidovits, P., McFadden, D. L., Eds.; Academic Press: New York, 1979; pp 77-123.
51. Mulliken, R. S. Phys. Rev. 1937, 51, 310.
52. Na = 5.138 eV is the first ionization potential of Na, taken from: Moore, C. E. Atomic Energy Levels; Natl. Bur. Stand. Ref. Data Ser. 35; U. S. Government Printing Office: Washington, DC, 1971; Vol. 1, p 89.
53. I = 3.059 eV is the electron affinity of I, taken from: Hotop, H.; Lineberger, W. C. J. Phys. Chem. Ref. Data 1985, 14, 731.
54. 38
55. Kosloff, R.; Baer, R. In Mode Selective Chemistry; Proceedings of the 24th Jerusalem Symposium on Quantum Chemistry and Biochemistry; Jortner, J., Levine, R. D., Pullman, B., Eds.; Kluwer Academic: Dordrecht, 1991; pp 347-357.
56. 13
57. Ragone, A. S.; Levy, D. H.; Berry, R. S. J. Chem. Phys. 1982, 77, 3784.
58. Bluhm, H.; Tiemann, E. Private communication.
59. Su, T.-M. R.; Riley, S. J. J. Chem. Phys. 1979, 71, 3194.
60. van Veen, N. J. A.; de Vries, M. S.; Sokol, J. D.; Baller, T.; de Vries, A. E. Chem. Phys. 1981, 56, 81.
61. Telle, H. H.; Tambini, A. J. J. Phys. B: Atom. Mol. Opt. Phys. 1989, 22, L315.
62. Wang, J.; Blake, A. J.; McCoy, D. G.; Torop, L. Chem. Phys. Lett. 1990, 175, 225.
63. Chapman, S.; Child, M. S. J. Phys. Chem. 1991, 95, 578.
64. Patel, M. M.; Gohel, V. B. Z. Naturforsch. 1972, 27A, 1227.
65. Kumar, M.; Shanker, J. J. Chem. Phys. 1992, 96, 5289.
66. 0 and that it remains so throughout a complete oscillation period.
67. Herzberg, G.; Huber, K. P. Molecular Spectra and Molecular Structure IV: Constants of Diatomic Molecules; Van Nostrand Reinhold: New York, 1979; p 442.
68. Berg, R. A.; Skewes, G. W. J. Chem. Phys. 1969, 51, 5430.
69. Schaefer, S. H.; Bender, D.; Tiemann, E. J. Chem. Phys. 1982, 78, 273.
70. Berry, R. S.; Levy, D. H. J. Chem. Phys. 1983, 78, 6342.
71. Child, M. S. In Molecular Spectroscopy; Specialist Periodical Reports Vol. 2; Chemical Society: London, 1974; Chapter 7, pp 466-512.
72. Child, M. S. Semiclassical Mechanics with Molecular Applications; Clarendon Press: Oxford, 1991; Chapter 3, pp 60-64.
73. Foth, H.-J.; Polanyi, J. C.; Telle, H. H. J. Phys. Chem. 1982, 86, 5027.
74. Foth, H.-J.; Mayne, H. R.; Poirier, R. A.; Polanyi, J. C.; Telle, H. H. In Photochemistry and Photobiology Vol. 1: Laser Chemistry Applications, Proc. Int. Conf. Univ. Alexandria; Zewail, A. H., Ed.; Harwood Academic: New York, 1983; pp 229-241.
75. Foth, H.-J.; Mayne, H. R.; Poirier, R. A.; Polanyi, J. C.; Telle, H. H. Laser Chem. 1983, 2, 223.
76. Bluhm, H.; Lindner, J.; Tiemann, E. J. Chem. Phys. 1990, 93, 4556.
77. Hanson, H. G. J. Chem. Phys. 1955, 23, 1391.
78. Earl, B. L.; Herm, R. R.; Lin, S.-M.; Mims, C. A. J. Chem. Phys. 1972, 56, 867.
79. Barker, J. R.; Weston, Jr., R. E. J. Chem. Phys. 1976, 65, 1427.
80. Berry, R. S. J. Chem. Phys. 1957, 27, 1288.
81. 1(R) on the inward-bound phase of each oscillation; see ref 84 for a discussion of this effect.
82. Messiah, A. Quantum Mechanics; North-Holland: Amsterdam, 1966; Vol. 1, Chapter VI, pp 214-222.
83. Engle, V.; Metiu, H.; Almeida, R.; Marcus, R. A.; Zewail, A. H. Chem. Phys. Lett. 1988, 152, 1.
84. Engel, V.; Metiu, H. J. Chem. Phys. 1989, 90, 6116.
85. 64 in such a case, the evolution of the mean values of the conjugate variables as a function of time can be rigorously described by Hamilton's equations of motion in the classical limit.
86. Alterman, E. B.; Tahk, C. T.; Wilson, D. J. J. Chem. Phys. 1966, 44, 451.
87. Baetzold, R. G.; Tahk, C. T.; Wilson, D. J. J. Chem. Phys. 1966, 45, 4209.
88. Endres, P. F.; Wilson, D. J. J. Chem. Phys. 1967, 46, 425.
89. See ref 64, Chapter 3, p 83.
90. Marcus, R. A. Chem. Phys. Lett. 1988, 152, 8.
91. Lee, S.-Y.; Pollard, W. T.; Mathies, R. A. J. Chem. Phys. 1989, 90, 6146.
92. 2(R;t) and takes place within the pulse width of the pump laser.
93. Meier, Ch.; Engel, V.; Briggs, J. S. J. Chem. Phys. 1991, 95, 7337.
94. Metiu, H.; Engel, V. J. Opt. Soc. Am. 1990, B7, 1709.
95. Engel, V.; Metiu, H. J. Chem. Phys. 1989, 91, 1596.
96. Choi, S. E.; Light, J. C. J. Chem. Phys. 1989, 90, 2593.
97. Kono, H.; Fujimura, Y. Chem. Phys. Lett. 1992, 193, 518.
98. Lin, S. H.; Fain, B. Chem. Phys. Lett. 1989, 155, 216.
99. Fain, B.; Lin, S. H.; Hamer, N. J. Chem. Phys. 1989, 91, 4485.
100. Henrickson, N. E. Theor. Chim. Acta 1992, 82, 249.
101. Kosloff, R. J. Phys. Chem. 1988, 92, 2087.
102. Recent reviews include: Miller, W. H. Annu. Rev. Phys. Chem. 1990, 41, 245.
103. Schatz, G. C. In The Theory of Chemical Reaction Dynamics; Clary, D. C., Ed.; NATO ASI Ser. C, Vol. 170; D. Reidel: Dorchecht, 1986; pp 1-26.
104. See for example: Clary, D. C. In Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules; Lagana, A., Ed.; NATO ASI Ser. C, Vol. 277; Kluwer Academic: Dordrecht, 1989; pp 295-325.
105. See for example: Tang, K. T. In Theory of Chemical Reaction Dynamics; Baer, M., Ed.; CRC Press: Boca Raton, FL, 1985; Vol. 2, pp 125-180.
106. Heller, E. J. J. Chem. Phys. 1975, 62, 1544.
107. Heller, E. J. J. Chem. Phys. 1978, 68, 2066;
108. Acc. Chem. Res. 1981, 14, 368.
109. Heller, E. J. In Potential Energy Surfaces and Dynamics Calculations for Chemical Reactions and Molecular Energy Transfer, Truhlar, D. G., Ed.; Plenum Press: New York, 1981; pp 103-131.
110. Kosloff, D.; Kosloff, R. J. Comput. Phys. 1982, 52, 35.
111. Kosloff, R.; Kosloff, D. J. Chem. Phys. 1983, 79, 1823.
112. Zhang, J. Z. H. Chem. Phys. Lett. 1989, 160, 417;
113. J. Chem. Phys. 1990, 92, 324.
114. Das, S.; Tannor, D. J. J. Chem. Phys. 1990, 92, 3403.
115. Williams, C. J.; Qian, J.; Tannor, D. J. J. Chem. Phys. 1991, 95, 1721.
116. Sharafeddin, O. A.; Bowen, H. F.; Kouri, D. J.; Das, S.; Tannor, D. J.; Hoffman, D. K. J. Chem. Phys. 1991, 95, 4727.
117. Kono, H.; Fujimura, Y. Chem. Phys. Lett. 1991, 184, 497.
118. Loudon, R. The Quantum Theory of Light, 2nd ed.; Clarendon Press: Oxford, 1983; Chapters, pp 194-195.
119. -1.
120. Zeiri, Y.; Balint-Kurti, G. G. J. Mol. Spectrosc. 1983, 99, 1.
121. max″ = 52.
122. Leforestier, C.; Bisseling, R. H.; Cerjan, C.; Feit, M. D.; Friesner, R.; Guldberg, A.; Hammerich, A.; Jolicard, G.; Karrlein, W.; Meyer, H.-D.; Lipkin, N.; Roncero, O.; Kosloff, R. J. Chem. Phys. 1991, 94, 59.
123. Truong, T. N.; Tanner, J. J.; Bala, P.; McCammon, J. A.; Kouri, D. J.; Lesyng, B.; Hoffman, D. K. J. Chem. Phys. 1992, 96, 2077.
124. Fleck, Jr., J. A.; Morris, J. R.; Feit, M. D. Appl. Phys. 1976, 10, 129.
125. Feit, M. D.; Fleck, Jr., J. A.; Steiger, A. J. Comput. Phys. 1982, 47, 412.
126. Feit, M. D.; Fleck, Jr., J. A. J. Chem. Phys. 1983, 78, 301.
127. Papanikolas, J. M.; Williams, R. M.; Kleiber, P. D.; Hart, J. L.; Brink, C.; Price, S. D.; Leone, S. R. J. Chem. Phys. 1995, 103, 7269.
128. Lindner, J.; Bluhm, H.; Fleisch, A.; Tiemann, E. Can. J. Phys. 1994, 72, 1137.
129. Bluhm, H.; Lindner, J.; Tiemann, E. Chem. Phys. 1994, 181, 173.