Theoretical interpretation of the line shape of the gaseous acetic acid cyclic dimer

Journal of Chemical Physics

Volumn 122, Issue 6, 2005, Pages

  Blaise, Paul ^a   Wojcik, Marek Janusz ^b   Henri Rousseau, Olivier ^b  

^a UNIVERSITÉ DE PERPIGNAN   (France)

^b JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC COUPLING; CYCLIC DIMERS; H-BOND BRIDGE;

APPROXIMATION THEORY; DIMERS; HYDROGEN BONDS; HYDROGENATION; MATHEMATICAL MODELS; QUANTUM THEORY;

ACETIC ACID;

EID: 22944450010     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1847491     Document Type: Article

References (66)

1. G. Hofacker, Y. Maréchal, and M. Ratner, in The Hydrogen Bond Theory, edited by, P. Schuster, G. Zundel, and, C. Sandorfy, (North Holland, Amsterdam, 1976), p. 297.
2. D. Hadži and S. Bratos, in The Hydrogen Bond Theory, edited by, P. Schuster, G. Zundel, and, C. Sandorfy, (North Holland, Amsterdam, 1976), p. 567.
3. C. Sandorfy, in The Hydrogen Bond Theory, edited by, P. Schuster, G. Zundel, and, C. Sandorfy, (North Holland, Amsterdam, 1976), p. 616.
4. C. Sandorfy, in Vibrational Spectra of Hydrogen Bonded Systems in the Gas Phase, Topics in Current Chemistry Vol. 120 (Springer, Berlin, 1984), p. 41.
5. Y. Maréchal, Molecular Interactions, edited by, H. Ratajczak, and, W. Orville-Thomas, (Wiley, New York, 1980), p. 230.
6. Y. Maréchal, in Vibrational Spectra and Structure, Vol. 16, edited by, J. Durig, (Elsevier, Amsterdam, 1987), p. 312.
7. Y. Maréchal, J. Chem. Phys. 87, 6344 (1987).
8. O. Henri-Rousseau and P. Blaise, in Infrared Spectra of Hydrogen Bonds: Basic Theories. Indirect and Direct Relaxation, Theoretical Treatment of Hydrogen Bonding, edited by, D. Hadži, (Wiley, New York, 1997), p. 165.
9. O. Henri-Rousseau and P. Blaise, 1998, in The Infrared Spectral Density of Weak Hydrogen Bonds within the Linear Response Theory, Adv. Chem. Phys. Vol. 103, edited by, I. Prigogine, and, S. A. Rice, (Wiley, New York, 1998), p. 1.
10. Y. Maréchal and A. Witkowski, J. Chem. Phys. 48, 3637 (1968).
11. S. Fischer, G. Hofacker, and M. Ratner, J. Chem. Phys. 52, 1934 (1970).
12. H. Ratajczak and A. M. Yaremko, Chem. Phys. Lett. 243, 348 (1995).
13. A. Witkowski and M. Wojcik, Chem. Phys. 1, 9 (1973).
14. M. Wojcik, Mol. Phys. 36, 1757 (1978).
15. M. J. Wójcik, M. Boczar, M. Wieczorek, and W. Tatara, J. Mol. Struct. 555, 165 (2000).
16. M. J. Wójcik, W. Tatara, M. Boczar, A. Apola, and S. Ikeda, J. Mol. Struct. 596, 207 (2001).
17. M. Boczar, M. J. Wójcik, K. Szczeponek, D. Jamróz, A. Zieba, and B. Kawalek, Chem. Phys. 286, 63 (2003).
18. M. Boczar, K. Szczeponek, M.J. Wójcik, and C. Paluszkiewicz, J. Mol. Struct. (in press).
19. C. Coulson and G. Robertson, Proc. R. Soc. London A337, 167 (1974);
20. A342, 380 (1975);
21. S. Mulhe, K. Susse, and D. Welsch, Phys. Lett. 66A, 25 (1978);
22. S. Mulhe, K. Susse, and D. Welsch, Ann der Phys. 7, 213 (1980).
23. R. Janoschek, G. Widemann, and G. Zundel, J. Chem. Soc., Faraday Trans. 2 69, 505 (1973).
24. N. Rösch and M. Ratner, J. Chem. Phys. 61, 3344 (1974).
25. B. Boulil, O. Henri-Rousseau, and P. Blaise, Chem. Phys. 126, 263 (1988).
26. O. Henri-Rousseau, P. Blaise, and D. Chamma, in Infrared Line Shapes of Weak Hydrogen Bonds: Recent Quantum Developments, Adv. Chem. Phys. Vol. 121, edited by, I. Prigogine, and, S. A. Rice, (Wiley, New York, 2002), p. 241.
27. P. Blaise, P.-M. Déjardin, and O. Henri-Rousseau, Chem. Phys. (in press).
28. J. Yarwood and G. Robertson, Nature (London) 257, 41 (1975).
29. G. Robertson and J. Yarwood, Chem. Phys. 32, 267 (1978).
30. S. Bratos, J. Chem. Phys. 63, 3499 (1975).
31. For a more general model involving Fermi resonances, see For a more general model involving Fermi resonances, see S. Bratos and H. Ratajczak, 76, 77 (1982).
32. The linear response theory supposes the usual weak field used in standard spectroscopy. For strong fields involving laser it is necessary to go beyond the linear approximation. For interesting approaches in the area of H bond working beyond this approximation, see S. Bratos and J.-Cl. Leicknam, J. Chem. Phys. 101, 4536 (1994);
33. 103, 1737 (1995).
34. Y. Maréchal, Chem. Phys. 79, 69 (1983).
35. J. L. Leviel and Y. Maréchal, J. Chem. Phys. 34, 1104 (1971).
36. Y. Maréchal, J. Mol. Struct. 189, 55 (1988).
37. Y. Maréchal, Chem. Phys. 79, 85 (1983).
38. M. J. Wójcik, Chem. Phys. Lett. 83, 503 (1981).
39. H. Ratajczak and A. Yaremko, Chem. Phys. Lett. 314, 122 (1999);
40. A.M. Yaremko, H. Ratajczak, J. Baran, A.J. Barnes, E.V. Mozdor, and B. Silvi, Chem. Phys. (in press).
41. D. Chamma, A. Velcescu, P. Blaise, and O. Henri-Rousseau, Chem. Phys. 293, 23 (2003).
42. H. Louisell, Quantum Statistical Properties of Radiations (Wiley, New York, 1973), p. 64.
43. D. Chamma and O. Henri-Rousseau, Chem. Phys. 248, 53 (1999).
44. F. Dyson, Phys. Rev. 75, 486 (1949);
45. 75, 1736 (1949).
46. B. Boulil, P. Blaise, and O. Henri-Rousseau, J. Mol. Struct.: THEOCHEM 314, 101 (1994).
47. W. Louisell and L. Walker, Phys. Rev. 137, 204 (1965).
48. R. Gordon, Adv. Magn. Reson. 3, 1 (1968).
49. P. Blaise and O. Henri-Rousseau, Chem. Phys. 256, 85 (2000).
50. M. J. Wojcik, Int. J. Quantum Chem. 29, 855 (1986).
51. P. Blaise, O. Henri-Rousseau, and A. Grandjean, Chem. Phys. 244, 405 (1999).
52. N. Rekik, B. Ouari, P. Blaise, and O. Henri-Rousseau, J. Mol. Struct. 687, 125 (2004).
53. V. Sakun, Chem. Phys. 99, 457 (1985).
54. H. Abramczyk, Chem. Phys. 94, 91 (1985).
55. M. Haurie and A. Novak, J. Chim. Phys. 62, 146 (1965).
56. S. Ginn and J. L. Wood, J. Chem. Phys. 46, 2735 (1967).
57. J. L. Carlson, R. E. Witkowski, and W. G. Fateley, Spectrochim. Acta 22, 1117 (1960).
58. R. J. Jakobson, Y. Mirawa, and J. W. Brasch, Spectrochim. Acta, Part A Part A 23, 2199 (1967).
59. K. Heyne, N. Huse, J. Dreyer, E. T. J. Nibbering, T. Elsaesser, and S. Mukamel, J. Chem. Phys. 121, 902 (2004).
60. S. Bratos, J.C. Leicknam, G. Gallot, and H. Ratajczak, in Ultrafast Hydrogen Bonding Dynamics and Proton Transfer Processes in the Condensed Phase, edited by, T. Elsaesser, and, H. J. Bakker, (Kluwer Academic, Dordrecht, 2002).
61. H. Flakus, J. Mol. Struct.: THEOCHEM 187, 35 (1989).
62. H. Flakus, Pol. J. Chem. 77, 489 (2003).
63. R. Feynmann and F. Vernon, Ann. Phys. (Leipzig) 24, 1181 (1963).
64. The strong anharmonic coupling theory is not without connexion with the temporal anharmonic theory of Witkowski. See The strong anharmonic coupling theory is not without connexion with the temporal anharmonic theory of Witkowski. See A. Witkowski, J. Chem. Phys. 79, 852 (1983);
65. Phys. Rev. A 41, 3511 (1990);
66. A. Witkowski, O. Henri-Rousseau, and P. Blaise, Acta Phys. Pol. A 91, 495 (1997).