Molecular dynamics of monomeric water dissolved in very hydrophobie solvents: The current state of the art of vibrational spectroscopy analyzed from analytical model and MD simulations

Journal of Physical Chemistry A

Volumn 104, Issue 42, 2000, Pages 9415-9427

  Danten, Y ^a   Tassaing, T ^a   Besnard, M ^a  

^a UNIVERSITÉ DE BORDEAUX   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; MOLECULAR VIBRATIONS; MONOMERS; SOLVENTS; SPECTROSCOPY; SUPERCRITICAL FLUIDS; WATER;

HYDROPHOBIC SOLVENTS; VIBRATIONAL SPECTROSCOPY;

MOLECULAR DYNAMICS;

EID: 0034295872     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp001091p     Document Type: Article

References (60)

1. Errera, J. J. Chimie Physique 1937, 34, 617.
2. Borst, L. B.; Buswell, A. M.; Rodebush, W. H. J. Chem. Phys. .1938, 6, 61.
3. Fox, J. J.; Martin, A. E. Proc. R. Soc. 1940, 74A, 234.
4. Greinacher, E.; Lüttke, W.; Mecke, R. Ber. Bunsen-Ges. Phys. Chem. 1955, 59, 23.
5. Saumagne, P.; Josien, M. L. Bull. Soc. Chim. Fr. 1958, 813.
6. Saumagne, P. Ph.D. Thesis, Bordeaux, 1961.
7. Le Narvor, A.; Centric, E.; Saumagne, P. Can. J. Chem. 1971,49, 1933.
8. Le Narvor, A.; Centric, E.; Saumagne, P. J. Chem. Soc., Faraday Trans. 1993, 70, 1191.
9. Glew, D. N.; Rath, N. S. Can. J. Chem. 1971, 49, 837.
10. Burneau, A.; Corset, J. J. Chimie Physique 1972, 1, 142.
11. For example, see: HITRAN Database Rothman, L. S.; Gamache, R. R.; Tipping, R. H.; Rinsland, C. P.; Smith, M. A. H.; Benner, D. C.; Divi, V. M.; Thand, J. M.; Camy-Peyret,' C.; Perrin, A.; Goldman, A.;' Massie, S. T.; Brown, L. R.; Toth, R. A.; J. Quant. Spectrosc. Radiat. Transfer 1992, 48, 469 (and references therein).
12. Conrad, M. P.; Strauss, H. L. Biophys. J. 1985, 48, 117.
13. Conrad, M. P.; Strauss, H. L. J. Phys. Chem. 1987, 91, 1668.
14. Bowman, L. E.; Palmer, B. J.; Garrett, B. C.; Fulton, J. L.; Yonker, C. R.; Pfund, D. M; Wallen, S. L. J. Phys. Chem. 1996, 700, 18 327.
15. Burneau, A. Ph.D. Thesis, Paris, 1970.
16. Burneau, A. J. Mol. Liq 1990, 46, 99.
17. Kjaergaard, H. G.; Henry, B. R.; Wei, H.; Lefebvre, S.; Carrington, T., Jr.; Mortensen, O. S.; Sage, M. L. J. Chem. Phys. 1994, 700, 6228.
18. Tassaing, T.; Danten, Y.; Besnard, M.; Zoidis, E.; Yarwood, J.; Guissani, Y.; Guillot, B. Mol. Phys. 1995, 84, 769, and references therein.
19. Zoidis, E.; Yarwood, J.; Tassaing, T.; Danten, Y.; Besnard, M. J. Mol. Liq. 1995, 64, 197.
20. Suzuki, S.; Green, P. G.; Bumgarner, R. E.; Dasgupta, S.; Goddard, W. A., III; Blake, G. A. Science 1992, 257, 942.
21. Klemperer, W. Nature 1993, 362, 698.
22. Kim, K. S.; Lee, J. Y.; Choi, H. S.; Kim, J.; Yang, J. H. Chem. Phys. Lett. 1997, 265, 497.
23. Gregory, J. K.; Clary, D. C. Mol. Phys. 1996, 88, 33.
24. Augspurger, J. D.; Dykstra, C. E.; Zwier, T. S. J. Phys. Chem. 1992, 96, 7252.
25. Karlström, G.; Linse, P.; Wallqvist, A. Jönsson, B. J. Am. Chem. Soc. 1983, 705, 3777.
26. Engdahl, A.; Nelander, B. J. Chem. Phys. 1985, 89, 2860.
27. Engdahl, A.; Nelander, B. J. Chem. Phys. 1987, 97, 2860.
28. Gutowsky, H. S.; Emilsson, T.; Arunan, E. J. Chem. Phys. 1993, 99, 4883.
29. Gotch, A. J.; Zwier, T. S. J. Chem. Phys. 1992, 96, 3388.
30. Pribble, R. N.; Zwier, T. S. Science 1994, 265, 75.
31. Pribble, R. N.; Zwier, T. S. Faraday Discuss. 1994, 97, 229.
32. Pribble, R. N.; Garrett, A. W.; Haber, K.; Zwier, T. S. J. Chem. Phys. 1995, 705, 131.
33. Furatcha, S.; Ikawa, S. J. Chem. Phys. 1998, 108, 5159.
34. Furatcha, S.; Ikawa, S. J. Chem. Phys. 1998, 108, 1347.
35. Wakai, C.; Nakahara, M. J. Chem. Phys. 1995, 103, 2025.
36. Nakahara, M.; Wakai, C. J. Chem. Phys. 1992, 97, 4413.
37. Wakai, C.; Nakahara, M. J. Chem. Phys. 1997, 106, 7512.
38. Tassaing, T.; Danten, Y.; Besnard, M.; Zoidis, E.; Yarwood, J. Chem. Phys. 1994, 184, 225.
39. Besnard, M. In Molecular Liquids: New perspectives in Physics and Chemistry; NATO ASI Series C, 1992, 379, 513.
40. Besnard, M.; Danten, Y.; Tassaing, T. J. Chem. Phys. 2000, 113, 3741.
41. Tassaing, T. Vibrat. Spectrosc., to be published.
42. Danten, Y.; Tassaing, T.; Besnard, M. J. Phys. Chem. 1999,103, 3350.
43. Gordon, R. G. J. Chem. Phys. 1965, 43, 1307.
44. Bratos, S.; Rios, J.; Guissani, Y. J. Chem. Phys. 1970, 52, 439.
45. Besnard, M.; Lassègues, J. C.; Guissani, Y.; Leicknam, J. C. Mol. Phys. 1984, 53, 1145.
46. Schofield, P. Phys. Rev. Lett. 1960, 4, 239.
47. Goldman, S.; Can. J. Chem. 1974,52, 1668.
48. Backx, P.; Goldman, S. J. Phys. Chem. 1981, 85, 2975.
49. Guissani, Y.; Leicknam, J. C.; Bratos, S. Phys. Rev. A 1977, 76, 2072.
50. Aguado-Gomez, M.; Leicknam, J. C. Phys. Rev. A 1986,34,4195.
51. Haase, J.; Zeil, W. Z. Phys. Chem. 1965, 45, 202.
52. Ewool, K. M.; Strauss, H. L. J. Chem. Phys. 1973, 58, 5835.
53. Me Donald, I. R.; Bounds, D. G.; Klein, M. L. Mol Phys. 1982, 45, 521.
54. Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; Hermans, J. In Intermolecular Forces; Pullmann, B.; Ed.; Dordrecht, 1981 ; 331.
55. Me Donald, I. R.; Singer, K. Mol Phys. 1972, 23, 29.
56. Kölmel, C.; Ahlrichs, R.; Karch, B. Mol. Phys. 1989, 66, 1015.
57. Chang, T. M.; Dang, L. X. J. Chem. Phys. 1996, 104, 6772.
58. Poll, J. D. Intermolecular Spectroscopy and Dynamical Properties of Dense Systems; van Kranendonk, J., Ed.; North-Holland, 1980.
59. Borysow, J.; Frommhold, L. Phenomena Induced by Intermolecular Interactions; Birnbaum, G., Ed.; Plenum Press: 1985; p 67.
60. Danten, Y.; Tassaing, T.; Besnard, M., in preparation