Classical and quantum studies of the photodissociation of a HX (X=Cl,F) molecule adsorbed on ice

Journal of Chemical Physics

Volumn 127, Issue 16, 2007, Pages

  Woittequand, S ^a   Duflot, D ^a   Monnerville, M ^a   Pouilly, B ^a   Toubin, C ^a   Briquez, S ^a   Meyer, H D ^b  

^a UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

^b UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ANGULAR DISTRIBUTION; PHOTODISSOCIATION; POTENTIAL ENERGY SURFACES; WAVE PACKETS;

PHOTODISSOCIATION DYNAMICS; QUANTUM EFFECTS; QUASICLASSICAL TRAJECTORIES; RAINBOW STRUCTURES;

MOLECULAR DYNAMICS;

EID: 36049008733     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2799519     Document Type: Article

References (46)

1. M. J. Molina, T. L. Tso, L. T. Molina, and F. C. Y. Wang, Science 238, 1253 (1987).
2. J. P. D. Abbatt, Chem. Rev. (Washington, D.C.) 103, 4783 (2003).
3. R. Bianco and J. T. Hynes, Acc. Chem. Res. 39, 159 (2006).
4. C. Girardet and C Toubin, Surf. Sci. Rep. 44, 159 (2001).
5. V. Buch, J. Sadlej, N. A. Uras, and J. P. Devlin, J. Phys. Chem. A 106, 93 (2002).
6. P. Parent and C. Laffon, J. Phys. Chem. B 109, 1547 (2005).
7. M. Calatayud, D. Courmier, and C. Minot, Chem. Phys. Lett. 369, 287 (2003).
8. J. L. Kuo and M. L. Klein, J. Chem. Phys. 120, 4690 (2004).
9. M. Svanberg, J. B. C. Petterson, and K. Bolton, J. Phys. Chem. A 104, 5787 (2000).
10. L. Wang and D. C. Clary, J. Chem. Phys. 104, 5663 (1996).
11. L. Wang and D. C. Clary, Chem. Phys. Lett. 262, 284 (1996).
12. P. Klan and I. Holoubek, Chemosphere 46, 1201 (2002).
13. V. Poteriya, M. Farnik, P. Slavicek, U. Buck, and V. Kresin, J. Chem. Phys. 126, 071101 (2007).
14. A. Yabushita, D. Kanda, N. Kawanaka, and M. Kawasaki, J. Chem. Phys. 127, 154721 (2007).
15. S. Andersson, G.-J. Kroes, and E. F. Van Dishoeck, Chem. Phys. Lett. 408, 415 (2005).
16. S. Woittequand, C. Toubin, B. Pouilly, M. Monnerville, S. Briquez, and H.-D. Meyer, Chem. Phys. Lett. 406, 202 (2005).
17. See EPAPS Document No. E-JCPSA6-127-501742 for detailed calculated energies, transition moments and spin-orbit coupling matrix elements of gaseous HF and HCl. This document can be reached through a direct link in the online article's HTML reference section or via a direct link in the EPAPS homepage (http://www.aip.org/pubservs/epaps.html).
18. K. Cahill and V. A. Parsegian, J. Chem. Phys. 121, 10839 (2004).
19. H.-J. Werner, P. J. Knowles, R. Lindh, F. R. Manby, M. Schütz, P. Celani, T. Korona, G. Rauhut, R. D. Amos, A. Bernhardsson, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, A. W. Lloyd, S. J. McNicholas, W. Meyer, M. E. Mura, A. NicklaB, P. Palmieri, R. Pitzer, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni, and T. Thorsteinsson, MOLPRO, a package of ab initio programs.
20. A. K. Wilson, T. van Mourik, J. Dunning, and H. Thom, J. Mol. Struct.: THEOCHEM 338, 339 (1996).
21. T. van Mourik, A. K. Wilson, J. Dunning, and H. Thom, Mol. Phys. 96, 529 (1999).
22. H.-J. Werner and P. J. Knowles, J. Chem. Phys. 82, 5053 (1985).
23. P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 115, 259 (1985).
24. P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988).
25. H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988).
26. E. R. Davidson and D. W. Silver, Chem. Phys. Lett. 53, 403 (1977).
27. M. H. Alexander, B. Pouilly, and T. Duhoo, J. Chem. Phys. 99, 1752 (1993).
28. W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983).
29. G.-J. Kroes and D. C. Clary, J. Phys. Chem. 96, 7079 (1992).
30. M. E. Cournoyer and W. L. Jorgensen, Mol. Phys. 51, 119 (1984).
31. D. O. N. Gardner, A. Al-Halabi, and G.-J. Kroes, Chem. Phys. Lett. 376, 581 (2003).
32. J. C. Slater and J. G. Kirkwood, Phys. Rev. 37, 682 (1931).
33. V. F. Petrenko and R. W. Whitworth, Physics of Ice (Oxford University Press, New York, 1999).
34. C. Toubin, S. Picaud, P. N. M. Hoang, C. Girardet, R. M. Lynden-Bell, and J. T. Hynes, J. Chem. Phys. 118, 9814 (2003).
35. R. Schinke, Photodissociation Dynamics (Cambridge University Press, Cambridge, 1993).
36. E. Wigner, Phys. Rev. 40, 749 (1932).
37. R. Kosloff and H. Tal-Ezer, Chem. Phys. Lett. 127, 223 (1986).
38. M. Monnerville and B. Pouilly, Chem. Phys. Lett. 294, 473 (1998).
39. P. Zdanska, P. Slavicek, and P. Jungwirth, J. Chem. Phys. 112, 10761 (2000).
40. J. Trin, M. Monnerville, B. Pouilly, and H.-D. Meyer, J. Chem. Phys. 118, 600 (2003).
41. B. Pouilly, M. Monnerville, F. Gatti, and H.-D. Meyer, J. Chem. Phys. 122, 184313 (2005).
42. M. Hintenender, F. Rebentrost, R. B. Gerber, and R. Kosloff, J. Chem. Phys. 102, 578 (1995).
43. M. Hintenender, F. Rebentrost, R. Kosloff, and R. B. Gerber, J. Chem. Phys. 105, 11347 (1996).
44. J. D. Graham and J. T. Roberts, J. Phys. Chem. 98, 5974 (1994).
45. S. Woittequand, S. Briquez, M. Monnerville, B. Pouilly, C. Toubin, and S. Picaud, Surf. Sci. 601, 3034 (2007).
46. M. H. Beck, A. Jäckie, G. A. Worth, and H.-D. Meyer, Phys. Rep. 324, 1 (2000).