Effects of the rotational excitation of D2 and of the potential energy surface on the H+ + D2 →hD+ D+ reaction

Journal of Chemical Physics

Volumn 131, Issue 4, 2009, Pages

  Gonzalez Lezana T ^a   Honvault, P ^b   Jambrina, P G ^c,d   Aoiz, F J ^d   Launay, J M ^e  

^a INSTITUTO DE FÍSICA FUNDAMENTAL   (Spain)

^b Faculté des Sciences et des Techniques La Bouloie   (France)

^c UNIVERSITY OF SALAMANCA   (Spain)

^d UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^e UNIVERSITÉ DE RENNES 1   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COLLISION ENERGIES; CROSS SECTION; DIFFERENTIAL CROSS SECTION; GROUND ROTATIONAL STATE; QUANTUM MECHANICAL; QUASI-CLASSICAL TRAJECTORY METHOD; REACTION PROBABILITY; ROTATIONAL EXCITATION; ROVIBRATIONAL STATE;

POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SURFACE PHENOMENA; WAVE FUNCTIONS;

POTENTIAL ENERGY;

EID: 68249087579     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3183538     Document Type: Article

References (55)

1. X. Yang, Int. Rev. Phys. Chem. 0144-235X 24, 37 (2005). 10.1080/01442350500163806 (Pubitemid 41312441)
2. D. Dai, C. C. Wang, G. Wu, S. A. Harich, H. Song, M. Hayes, R. T. Skodje, X. Wang, D. Gerlich, and X. Yang, Phys. Rev. Lett. 0031-9007 95, 013201 (2005). 10.1103/PhysRevLett.95.013201 (Pubitemid 41506434)
3. H. Song, D. Dai, G. Wu, C. C. Wang, S. A. Harich, M. Y. Hayes, X. Wang, D. Gerlich, X. Yang, and R. T. Skodje, J. Chem. Phys. 0021-9606 123, 074314 (2005). 10.1063/1.1998807
4. E. Wrede, L. Schnieder, K. Seekamp-Schnieder, B. Niederjohann, and K. H. Welge, Phys. Chem. Chem. Phys. 1463-9076 7, 1577 (2005). 10.1039/b417440b (Pubitemid 40523999)
5. E. Carmona-Novillo, T. González-Lezana, O. Roncero, P. Honvault, J. -M. Launay, N. Bulut, F. J. Aoiz, L. Baares, A. Trottier, and E. Wrede, J. Chem. Phys. 0021-9606 128, 014304 (2008). 10.1063/1.2812555
6. M. Y. Hayes and R. T. Skodje, J. Chem. Phys. 0021-9606 126, 104306 (2007). 10.1063/1.2646899 (Pubitemid 46440088)
7. T. González-Lezana, A. Aguado, M. Paniagua, and O. Roncero, J. Chem. Phys. 0021-9606 123, 194309 (2005). 10.1063/1.2118567
8. E. J. Rackham, F. Huarte-Larraaga, and D. E. Manolopoulos, Chem. Phys. Lett. 0009-2614 343, 356 (2001). 10.1016/S0009-2614(01)00707-2 (Pubitemid 33632245)
9. E. J. Rackham, T. González-Lezana, and D. E. Manolopoulos, J. Chem. Phys. 0021-9606 119, 12895 (2003). 10.1063/1.1628218
10. T. González-Lezana, O. Roncero, P. Honvault, J. -M. Launay, N. Bulut, F. J. Aoiz, and L. Baares, J. Chem. Phys. 0021-9606 125, 094314 (2006). 10.1063/1.2336224 (Pubitemid 44370718)
11. L. Bonnet, J. Chem. Phys. 0021-9606 128, 044109 (2008). 10.1063/1.2827134 (Pubitemid 351191589)
12. J. R. Krenos, R. K. Preston, R. Wolfgang, and J. C. Tully, J. Chem. Phys. 0021-9606 60, 1634 (1974). 10.1063/1.1681242
13. D. Gerlich, U. Nowotny, C. Schlier, and E. Teloy, Chem. Phys. 0301-0104 47, 245 (1980). 10.1016/0301-0104(80)85010-5
14. C. Schlier and U. Vix, Chem. Phys. 0301-0104 95, 401 (1985). 10.1016/0301-0104(85)80163-4
15. C. G. Schlier and U. Vix, Chem. Phys. 0301-0104 113, 211 (1987). 10.1016/0301-0104(87)80149-0
16. C. Schlier, U. Nowotny, and E. Teloy, Chem. Phys. 0301-0104 111, 351 (1987). 10.1016/0301-0104(87)85083-8
17. T. Takayanagi, Y. Kurosaki, and A. Ichihara, J. Chem. Phys. 0021-9606 112, 2615 (2000). 10.1063/1.480835 (Pubitemid 33640683)
18. H. Kamisaka, W. Bian, K. Nobusada, and H. Nakamura, J. Chem. Phys. 0021-9606 116, 654 (2002). 10.1063/1.1418252 (Pubitemid 34064599)
19. L. Bonnet, P. Larŕgaray, J. C. Rayez, and T. González- Lezana, Phys. Chem. Chem. Phys. 1463-9076 8, 3951 (2006). 10.1039/b608811b
20. L. Bonnet, P. Larŕgaray, and J. -C. Rayez, Phys. Chem. Chem. Phys. 1463-9076 9, 3228 (2007). 10.1039/b700906b
21. F. J. Aoiz, V. S. Rábanos, T. González-Lezana, and D. E. Manolopoulos, J. Chem. Phys. 0021-9606 126, 161101 (2007). 10.1063/1.2723067 (Pubitemid 46685430)
22. F. J. Aoiz, T. González-Lezana, and V. S. Rábanos, J. Chem. Phys. 0021-9606 127, 174109 (2007). 10.1063/1.2774982 (Pubitemid 350075517)
23. R. Prosmiti, O. L. Polyansky, and J. Tennyson, Chem. Phys. Lett. 0009-2614 273, 107 (1997). 10.1016/S0009-2614(97)00596-4
24. A. Aguado, O. Roncero, C. Tablero, C. Sanz, and M. Paniagua, J. Chem. Phys. 0021-9606 112, 1240 (2000). 10.1063/1.480539
25. C. Sanz, O. Roncero, C. Tablero, A. Aguado, and M. Paniagua, J. Chem. Phys. 0021-9606 114, 2182 (2001). 10.1063/1.1336566
26. M. Pavanello, W. -C. Tung, F. Leonarski, and L. Adamowicz, J. Chem. Phys. 0021-9606 130, 074105 (2009). 10.1063/1.3077193
27. A. Ichihara, T. Shirai, and K. Yokoyama, J. Chem. Phys. 0021-9606 105, 1857 (1996). 10.1063/1.472047
28. A. Ichihara, O. Iwamoto, and R. K. Janev, J. Phys. B 0953-4075 33, 4747 (2000). 10.1088/0953-4075/33/21/318 (Pubitemid 32024754)
29. V. G. Ushakov, K. Nobusada, and V. I. Osherov, Phys. Chem. Chem. Phys. 1463-9076 3, 63 (2001). 10.1039/b007096n (Pubitemid 32064331)
30. T. -S. Chu and K. -L. Han, J. Phys. Chem. A 1089-5639 109, 2050 (2005). 10.1021/jp0451391 (Pubitemid 40429349)
31. R. -F. Lu, T. -S. Chu, and K. -L. Han, J. Phys. Chem. A 1089-5639 109, 6683 (2005). 10.1021/jp0520401 (Pubitemid 41156859)
32. A. Saieswari and S. Kumar, Chem. Phys. Lett. 0009-2614 449, 358 (2007). 10.1016/j.cplett.2007.10.098 (Pubitemid 350160621)
33. S. Amaran and S. Kumar, J. Chem. Phys. 0021-9606 127, 214304 (2007). 10.1063/1.2801858 (Pubitemid 350234535)
34. S. Amaran and S. Kumar, J. Chem. Phys. 0021-9606 128, 064301 (2008). 10.1063/1.2831505 (Pubitemid 351264562)
35. T. -S. Chu, A. J. Varandas, and K. -L. Han, Chem. Phys. Lett. 0009-2614 471, 222 (2009). 10.1016/j.cplett.2009.02.049
36. R. K. Preston and J. C. Tully, J. Chem. Phys. 0021-9606 54, 4297 (1971). 10.1063/1.1674676
37. L. P. Viegas, A. Alijah, and A. J. C. Varandas, J. Chem. Phys. 0021-9606 126, 074309 (2007). 10.1063/1.2566770 (Pubitemid 46303470)
38. A. Ichihara and K. Yokoyama, J. Chem. Phys. 0021-9606 103, 2109 (1995). 10.1063/1.469686
39. P. Honvault and J. Launay, in Theory of Chemical Reaction Dynamics, edited by, A. Lagana, and, G. Lendvay, (Kluwer, Dordrecht, 2004), pp. 187-215.
40. P. Honvault and J. -M. Launay, J. Chem. Phys. 0021-9606 111, 6665 (1999). 10.1063/1.480016
41. P. Soldán, M. T. Cvitas, J. M. Hutson, P. Honvault, and J. -M. Launay, Phys. Rev. Lett. 0031-9007 89, 153201 (2002). 10.1103/PhysRevLett.89. 153201
42. M. Jorfi and P. Honvault, J. Phys. Chem. A 1089-5639 113, 2316 (2009). 10.1021/jp811237z
43. D. E. Manolopoulos, J. Chem. Phys. 0021-9606 85, 6425 (1986). 10.1063/1.451472
44. T. González-Lezana, Int. Rev. Phys. Chem. 0144-235X 26, 29 (2007). 10.1080/03081070600933476
45. F. J. Aoiz, T. González-Lezana, and V. S. Rábanos, J. Chem. Phys. 0021-9606 129, 094305 (2008). 10.1063/1.2969812
46. L. Baares, F. Aoiz, P. Honvault, B. Bussery-Honvault, and J. Launay, J. Chem. Phys. 0021-9606 118, 565 (2003). 10.1063/1.1527014
47. L. Baares, F. J. Aoiz, P. Honvault, and J. -M. Launay, J. Phys. Chem. A 1089-5639 108, 1616 (2004). 10.1021/jp037109o
48. F. J. Aoiz, V. Sáez-Rábanos, B. Martinez-Haya, and T. González-Lezana, J. Chem. Phys. 0021-9606 123, 094101 (2005). 10.1063/1.2009739 (Pubitemid 41329929)
49. N. Balucani, G. Capozza, E. Segoloni, A. Russo, R. Bobbenkamp, P. Casavecchia, T. González-Lezana, E. J. Rackham, L. Baares, and F. J. Aoiz, J. Chem. Phys. 0021-9606 122, 234309 (2005). 10.1063/1.1930831 (Pubitemid 41100407)
50. N. Balucani, L. Cartechini, G. Capozza, E. Segoloni, P. Casavecchia, G. G. Volpi, F. J. Aoiz, L. Baares, P. Honvault, and J. -M. Launay, Phys. Rev. Lett. 0031-9007 89, 013201 (2002). 10.1103/PhysRevLett.89.013201
51. N. Balucani, P. Casavecchia, L. Baares, F. J. Aoiz, T. González-Lezana, P. Honvault, and J. M. Launay, J. Phys. Chem. A 1089-5639 110, 817 (2006). 10.1021/jp054928v (Pubitemid 43164675)
52. N. Balucani, G. Capozza, L. Cartechini, A. Bergeat, R. Bobbenkamp, P. Casavecchia, F. J. Aoiz, L. Baares, P. Honvault, B. Bussery-Honvault, and J. -M. Launay, Phys. Chem. Chem. Phys. 1463-9076 6, 4957 (2004). 10.1039/b409327e
53. L. Baares, F. J. Aoiz, T. González-Lezana, V. J. Herrero, and I. Tanarro, J. Chem. Phys. 0021-9606 123, 224301 (2005). 10.1063/1.2131075
54. P. G. Jambrina, F. J. Aoiz, C. J. Eyles, V. J. Herrero, and V. Sáez Rabanos, J. Chem. Phys. 0021-9606 130, 184303 (2009). 10.1063/1.3129343
55. P. G. Jambrina, F. J. Aoiz, M. Hankel, N. Bulut, S. C. Smith, and G. G. Balint-Kurti, submitted for publication.