Hydrogen bond dynamics in water and ultrafast infrared spectroscopy

Journal of Physical Chemistry A

Volumn 106, Issue 50, 2002, Pages 11993-11996

  Rey, Rossend ^a   Møller, Klaus B ^b,c   Hynes, James T ^b,d  

^a UNIVERSITAT POLITÈCNICA DE CATALUNYA   (Spain)

^b ECOLE NORMALE SUPÉRIEURE   (France)

^c TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^d UNIVERSITY OF COLORADO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISPERSIONS; HYDROGEN BONDS; INFRARED SPECTROSCOPY; PROBABILITY DISTRIBUTIONS; WATER;

WATER DYNAMICS;

MOLECULAR DYNAMICS;

EID: 0037137666     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp026419o     Document Type: Article

References (35)

1. Woutersen, S.; Emmerichs, U.; Nienhuys, H.-K.; Bakker, H.J. Phys. Rev. Lett. 1998, 81, 1106. Nienhuys, H.-K.; Woutersen, S.; Van Santen, R.A.; Bakker, H.J. J. Chem. Phys. 1999, 111, 1494.
2. Woutersen, S.; Emmerichs, U.; Nienhuys, H.-K.; Bakker, H.J. Phys. Rev. Lett. 1998, 81, 1106. Nienhuys, H.-K.; Woutersen, S.; Van Santen, R.A.; Bakker, H.J. J. Chem. Phys. 1999, 111, 1494.
3. Laenen, R.; Rauscher, C.; Laubereau, A. Phys. Rev. Lett. 1998, 80, 2622. Laenen, R.; Rauscher, C.; Laubereau, A. J. Phys. Chem. B 1998, 102, 9304.
4. Laenen, R.; Rauscher, C.; Laubereau, A. Phys. Rev. Lett. 1998, 80, 2622. Laenen, R.; Rauscher, C.; Laubereau, A. J. Phys. Chem. B 1998, 102, 9304.
5. Gale, G.M.; Gallot, G.; Hache, F.; Lascoux, N.; Bratos, S.; Leicknam, J.-C. Phys. Rev. Lett. 1999, 82, 1068.
6. Bratos, S.; Gale, G.M.; Gallot, G.; Hache, F.; Lascoux, N.; Leicknam, J.-C. Phys. Rev. E 2000, 61, 5211.
7. Woutersen, S.; Bakker, H.J. Phys. Rev. Lett. 1999, 83, 2077.
8. Bakker, H.J.; Woutersen, S.; Nienhuys, H.-K. Chem. Phys. 2000, 258, 233. Gallot, G.; Lascoux, N.; Gale, G.M.; Leicknam, J.-C.; Bratos, S.; Pommeret, S. Chem. Phys. Lett. 2001, 341, 535. Bakker, H.J.; Nienhuys, H.-K.; Gallot, G.; Lascoux, N.; Gale, G.M.; Leicknam, J.-C.; Bratos, S. J. Chem. Phys. 2002, 116, 2592.
9. Bakker, H.J.; Woutersen, S.; Nienhuys, H.-K. Chem. Phys. 2000, 258, 233. Gallot, G.; Lascoux, N.; Gale, G.M.; Leicknam, J.-C.; Bratos, S.; Pommeret, S. Chem. Phys. Lett. 2001, 341, 535. Bakker, H.J.; Nienhuys, H.-K.; Gallot, G.; Lascoux, N.; Gale, G.M.; Leicknam, J.-C.; Bratos, S. J. Chem. Phys. 2002, 116, 2592.
10. Bakker, H.J.; Woutersen, S.; Nienhuys, H.-K. Chem. Phys. 2000, 258, 233. Gallot, G.; Lascoux, N.; Gale, G.M.; Leicknam, J.-C.; Bratos, S.; Pommeret, S. Chem. Phys. Lett. 2001, 341, 535. Bakker, H.J.; Nienhuys, H.-K.; Gallot, G.; Lascoux, N.; Gale, G.M.; Leicknam, J.-C.; Bratos, S. J. Chem. Phys. 2002, 116, 2592.
11. Deàk, J.C.; Rhea, S.T.; Iwaki, L.K.; Dlott, D.D. J. Phys. Chem. A 2000, 104, 4866.
12. Stenger, J.; Madsen, D.; Harem, P.; Nibbering, E.T.J.; Elsaesser, T. Phys. Rev. Lett. 2001, 87, 027401.
13. Stenger, J.; Madsen, D.; Hamm, P.; Nibbering, E.T.J.; Elsaesser, T. J. Phys. Chem. A 2002, 106, 2341.
14. Staib, A.; Hynes, J.T. Chem. Phys. Lett. 1993, 204, 197.
15. Rey, R.; Hynes, J.T. J. Chem. Phys. 1996, 104, 2356.
16. Souaille, M.; Smith, J.C. Mol. Phys. 1996, 87, 1333 and references therein.
17. In this connection, it is of interest to note that underdamped H-bond motion is assumed in the theoretical work of one of us on proton-transfer reactions in solution (see, e.g., Kiefer, P.M.; Hynes, J.T. J. Phys. Chem. A 2002, 106, 1850) and that oscillations have been experimentally observed for an intramolecular H bond in Stenger, J.; Madsen, D.; Dreyer, J.; Nibbering, E.T.J.; Harem, P.; Elsaesser, T. J. Phys. Chem. A 2001, 105, 2929.
18. In this connection, it is of interest to note that underdamped H-bond motion is assumed in the theoretical work of one of us on proton-transfer reactions in solution (see, e.g., Kiefer, P.M.; Hynes, J.T. J. Phys. Chem. A 2002, 106, 1850) and that oscillations have been experimentally observed for an intramolecular H bond in Stenger, J.; Madsen, D.; Dreyer, J.; Nibbering, E.T.J.; Harem, P.; Elsaesser, T. J. Phys. Chem. A 2001, 105, 2929.
19. Mikenda, W. J. Mol. Struct. 1986, 147, 1. Mikenda W.; Steinböck, S. J. Mol. Struct. 1996, 384, 159.
20. Mikenda, W. J. Mol. Struct. 1986, 147, 1. Mikenda. W.; Steinböck, S. J. Mol. Struct. 1996, 384, 159.
21. Libowitzky, E. Monatsh. Chem. 1999, 130, 1047.
22. Luzar, A. J. Chem. Phys. 2000, 113, 10663.
23. Berendsen, H.; Grigera, J.; Straatsma, T. J. Phys. Chem. 1987, 91, 6269.
24. Berendsen, H.; Postma, J.; Van Gunsteren, W.; DiNola, A.; Haak, J. J. Chem. Phys. 1984, 81, 3684.
25. Reimers, J.; Watts, R. Mol. Phys, 1984, 52, 357.
26. Benedict, W.S.; Gailar, N.; Plyler, E. J. Chem. Phys. 1956, 24, 1139.
27. Rey, R.; Hynes, J.T. J. Chem. Phys. 1998, 108, 142.
28. Ojamae, L.; Hermansson, K.; Probst, M. Chem. Phys. Lett. 1992, 191, 500.
29. Ojamae, L.; Tegenfeldt, J.; Lindgren, J.; Hermansson, K. Chem. Phys. Lett. 1992, 195, 97.
30. Falk, M.; Ford, T. Can. J. Chem. 1966, 44, 1699.
31. Diraison, M.; Guissani, Y.; Leicknam, J.-C.; Bratos, S. Chem. Phys. Lett. 1996, 258, 348.
32. Luzar, A.; Chandler, D. J. Chem. Phys 1993, 98, 8160.
33. Georgievskii, Y.; Marcus, R.A. J. Phys. Chem. A 2001, 105, 2281.
34. eq is the equilibrium separation for an intact H-bonded species, is divergent on longer time scales for the same reason.
35. Skinner, J. 1. (Wisconsin), private communication.