Angular momentum dependent friction slows down rotational relaxation under nonequilibrium conditions

Journal of Chemical Physics

Volumn 125, Issue 22, 2006, Pages

  Gelin, M F ^a   Kosov, D S ^a  

^a University of Maryland   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL RELAXATION; COMPUTER SIMULATION; CORRELATION METHODS; FUNCTION EVALUATION; MOLECULAR DYNAMICS;

ANGULAR MOMENTUM DEPENDENT FRICTION; FOKKER-PLANCK EQUATION; PHOTOFRAGMENTS; ROTATIONAL ENERGY; ROTATIONAL RELAXATION;

FRICTION;

EID: 33845539715     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2401609     Document Type: Article

References (67)

1. J. S. Baskin and A. Zewail, J. Phys. Chem. 0022-3654 10.1021/j100064a015 98, 3337 (1994).
2. J. S. Baskin and A. H. Zewail, J. Phys. Chem. A 1089-5639 10.1021/jp004525p 105, 3680 (2001).
3. B. Locke, T. Lian, and R. M. Hochstrasser, Chem. Phys. 158, 409 (1991).
4. M. Lim, T. A. Jackson, and P. A. Anfinrud, J. Chem. Phys. 0021-9606 10.1063/1.469484 102, 4355 (1995).
5. M. Lim, T. A. Jackson, and P. A. Anfinrud, J. Am. Chem. Soc. 0002-7863 10.1021/ja035475f 126, 7946 (2004).
6. S. Kim and M. Lim, J. Am. Chem. Soc. 127, 5786 (2005).
7. J. Helbing, K. Nienhaus, G. U. Nienhaus, and P. Hamm, J. Chem. Phys. 0021-9606 10.1063/1.1867352 122, 124505 (2005).
8. U. Banin and S. Ruhman, J. Chem. Phys. 0021-9606 10.1063/1.465066 98, 4391 (1993).
9. E. Lenderink, K. Duppen, and D. A. Wiersma, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(93)80134-B 211, 503 (1993).
10. E. Lenderink, K. Duppen, F. P. X. Everdij, J. Marvi, R. Torre, and D. A. Wiersma, J. Phys. Chem. 0022-3654 10.1021/jp953325o 100, 7822 (1996).
11. C. Wan, M. Gupta, and A. Zewail, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(96)00443-5 256, 279 (1996).
12. S. Gnanakaran, M. Lim, N. Pugliano, M. Volk, and R. M. Hochstrasser, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/8/47/009 8, 9201 (1996).
13. M. Volk, S. Gnanakaran, E. Gooding, Y. Kholodenko, N. Pugliano, and R. M. Hochstrasser, J. Phys. Chem. A 1089-5639 10.1021/jp962013y 101, 638 (1997).
14. M. Lim, S. Gnanakaran, and R. M. Hochstrasser, J. Chem. Phys. 0021-9606 10.1063/1.473445 106, 3485 (1997).
15. T. Kühne and P. Vöhringer, J. Phys. Chem. A 1089-5639 10.1021/jp973154i 102, 4177 (1998).
16. S. Hess, H. Bürsing, and P. Vöhringer, J. Chem. Phys. 0021-9606 10.1063/1.479807 111, 5461 (1999).
17. M. Volk, J. Phys. Chem. A 103, 5621 (1999).
18. S. Hess, H. Hippler, T. Kühne, and P. Vöhringer, J. Phys. Chem. A 1089-5639 10.1021/jp990722g 103, 5623 (1999).
19. H. Bürsing, J. Lindner, S. Hess, and P. Vöhringer, Appl. Phys. B: Lasers Opt. B71, 411 (2000).
20. H. Bürsing and P. Vöhringer, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a907736g 2, 73 (2000).
21. H. Fidder, F. Tschirschwitz, O. Dühr, and E. T. J. Nibbering, J. Chem. Phys. 0021-9606 10.1063/1.1357202 114, 6781 (2001).
22. A. C. Moskun and S. E. Bradforth, J. Chem. Phys. 0021-9606 10.1063/1.1591726 119, 4500 (2003).
23. J. E. Straub and M. Karplus, Chem. Phys. 0301-0104 10.1016/0301-0104(91) 87068-7 158, 221 (1991).
24. I. Benjamin and K. R. Wilson, J. Chem. Phys. 0021-9606 10.1063/1.455775 90, 4176 (1989).
25. I. I. Benjamin, U. Banin, and S. Ruhman, J. Chem. Phys. 0021-9606 10.1063/1.464539 98, 8337 (1993).
26. I. Benjamin, J. Chem. Phys. 0021-9606 10.1063/1.470695 103, 2459 (1995).
27. A. I. Krylov and B. B. Gerber, J. Chem. Phys. 0021-9606 10.1063/1.466306 100, 4242 (1994).
28. A. P. Blokhin and M. F. Gelin, Chem. Phys. 252, 323 (2000).
29. M. F. Gelin, J. Mol. Liq. 93, 51 (2001).
30. A. P. Blokhin and M. F. Gelin, Phys. Chem. Chem. Phys. 4, 3356 (2002).
31. A. C. Moskun, A. E. Jailaubekov, S. E. Bradforth, G. Tao, and R. M. Stratt, Science 311, 1907 (2006).
32. G. Tao and R. M. Stratt, J. Chem. Phys. 0021-9606 10.1063/1.2336780 125, 114501 (2006).
33. This assumption, in principle, can be relaxed but it is adequate. Since photodissociation is normally quite fast [hundreds of femtoseconds (see Refs.)] on the rotational dynamics timescale, the ensemble of photofragments can be thought of as being instantaneously injected into the equilibrium heat bath.
34. L. -P. Hwang and J. H. Freed, J. Chem. Phys. 0021-9606 10.1063/1.431064 63, 118 (1975).
35. G. T. Evans, Mol. Phys. 36, 65 (1978).
36. A. P. Blokhin and M. F. Gelin, Physica A 0378-4371 10.1016/S0378-4371(97) 00564-5 251, 469 (1998).
37. R. G. Gordon, J. Chem. Phys. 0021-9606 10.1063/1.1726949 44, 1830 (1966).
38. M. Fixman and K. Rider, J. Chem. Phys. 0021-9606 10.1063/1.1672362 51, 2425 (1969).
39. R. E. D. McClung, Adv. Mol. Relax. Interact. Processes 10, 83 (1977).
40. P. S. Hubbard, Phys. Rev. A 1050-2947 10.1103/PhysRevA.6.2421 6, 2421 (1972).
41. G. W. Ford, J. T. Lewis, and J. McConnell, Phys. Rev. A 1050-2947 10.1103/PhysRevA.19.907 19, 907 (1979).
42. A. Morita, J. Chem. Phys. 0021-9606 10.1063/1.443365 76, 3198 (1982).
43. D. H. Lee and R. E. D. McClung, Chem. Phys. 112, 23 (1987).
44. A. I. Burshtein, L. M. Strekalov, and S. I. Temkin, Sov. Phys. JETP 39, 433 (1974).
45. A. I. Burshtein and S. I. Temkin, Spectroscopy of Molecular Rotations in Gases and Liquids (Cambridge University Press, Cambridge, 1994).
46. M. F. Gelin and D. S. Kosov, J. Chem. Phys. 0021-9606 10.1063/1.2191058 124, 144514 (2006).
47. In this case, the eigenfunctions ψk (J) = Hek (J) (see Ref.), Hek (J) being the Hermite polynomials.
48. M. P. Allen, G. T. Evans, D. Frenkel, and B. M. Mulder, Adv. Chem. Phys. 83, 89 (1993).
49. R. E. D. McClung, J. Chem. Phys. 0021-9606 10.1063/1.1678249 57, 5478 (1972).
50. C. Dreyfus, C. Breuillard, N. T. Tai, and R. Ouillon, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(79)80168-2 62, 246 (1979).
51. S. Dattagupta and A. K. Sood, Pramana 13, 423 (1979).
52. G. Wyllie, Phys. Rep. 0370-1573 10.1016/0370-1573(80)90143-X 61, 327 (1980).
53. A. P. Blokhin and M. F. Gelin, Khim. Fiz. 17, 108 (1998).
54. Strictly speaking, the averaged rotational energy CF, 〈 E (t) 〉 ne - 〈E〉 B, is identically zero under equilibrium conditions (ne→B). However, the normalized CF CS (t), as defined by Eq., yields exp { -2 t } in the limit ne→B.
55. H. Risken, The Fokker-Planck Equation (Springer, Berlin, 1984).
56. U. Erdmann, W. Ebeling, L. Schimansky-Geier, and F. Schweitzer, Eur. Phys. J. B 1434-6028 10.1007/s100510051104 15, 105 (2000).
57. M. G. Kurnikova, D. H. Waldeck, and R. D. Coalson, J. Chem. Phys. 0021-9606 10.1063/1.471930 105, 628 (1996).
58. R. M. Stratt and M. Maroncelli, J. Phys. Chem. 0022-3654 10.1021/jp9608483 100, 12981 (1996).
59. P. V. Kumar and M. Maroncelli, J. Chem. Phys. 0021-9606 10.1063/1.481107 112, 5370 (2000).
60. B. Bagchi and R. Biswas, Adv. Chem. Phys. 109, 207 (1999).
61. J. Jang and R. M. Stratt J. Chem. Phys. 0021-9606 10.1063/1.481350 112, 7524 (2000); J. Jang and R. M. Stratt, J. Chem. Phys. 0021-9606 10.1063/1.481351 112, 7538 (2000).
62. J. Jang and R. M. Stratt J. Chem. Phys. 0021-9606 10.1063/1.481350 112, 7524 (2000); J. Jang and R. M. Stratt, J. Chem. Phys. 0021-9606 10.1063/1.481351 112, 7538 (2000).
63. There is, perhaps, no good reason to consider high values of N in Eq., so that the first few N=1,2,3 are meaningful.
64. A more physically justified parametrization of ρ ne (J) can be found in Refs.
65. Note that Eqs. predict that rotational relaxation in nonequilibrium cold ensembles (=T Tne 1) is faster than in equilibrium ensembles (=T Tne =1). Since the parameter b is assumed to be small, this effect is not so pronounced, in general.
66. A. P. Blokhin and M. F. Gelin, Physica A 0378-4371 10.1016/0378-4371(96) 00032-5 229, 501 (1996).
67. R. M. Lynden-Bell, NATO ASI Ser., Ser. C 135, 501 (1984).