Vibronic model for H/D isotopic self-organization effects in centrosymmetric dimers of hydrogen bonds

Journal of Molecular Structure

Volumn 646, Issue 1-3, 2003, Pages 15-23

  Flakus, Henryk T ^a  

^a UNIVERSITY OF SILESIA   (Poland)

Author keywords

Band shape analysis; Cooperative effects; H D isotopic effects in the IR; Herzberg Teller vibronic coupling; Hydrogen bond dimers; Isotopic dilution; Molecular crystals; Strong coupling model

Indexed keywords

DEUTERIUM; DIMER; HYDROGEN; ISOTOPE; PROTON;

ARTICLE; CRYSTAL; ENERGY; HYDROGEN BOND; INFRARED SPECTROSCOPY; THEORETICAL MODEL; VIBRATION;

EID: 0037453988     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(02)00487-8     Document Type: Article

References (38)

1. G.C. Pimentel, A.L. McClellan, The Hydrogen Bond, W.H. Freeman, San Francisco, 1960.
2. P. Schuster, G. Zundel, C. Sandorfy (Eds.), The Hydrogen Bond, Recent Developments in Theory and Experiment, Parts I, II and III, 1976.
3. H. Ratajczak, W.J. Orville-Thomas (Eds.), Molecular Interactions, 1, Wiley, New York, 1980.
4. D. Hadzi (Eds.), Theoretical Treatments of Hydrogen Bonding, Wiley, New York, 1997.
5. A. Witkowski, J. Chem. Phys. 47 (1967) 3645.
6. Y. Marechal, A. Witkowski, J. Chem. Phys. 48 (1968) 3697.
7. S.F. Fischer, G.L. Hofacker, M.A. Ratner, J. Chem. Phys. 52 (1970) 1943.
8. G.L. Hofacker, Y. Marechal, M.A. Ratner, The dynamical aspects of hydrogen bonds, in: P. Schuster, G. Zundel, C. Sandorfy (Eds.), The Hydrogen Bond, Recent Developments in Theory and Experiment, Part I, 1976, p. 295.
9. O. Henri-Rousseau, P. Blaise, The infrared spectral density of weak hydrogen bonds within the linear response theory, in: I. Prigogine, S.A. Rice (Eds.), Advances in Chemical Physics, vol. 103, Wiley, New York, 1998, p. 1.
10. O. Henri-Rousseau, P. Blaise, in: D. Hadzi (Ed.), Theoretical Treatments of Hydrogen Bonding, Wiley, New York, 1997, p. 165.
11. D. Chamma, O. Henri-Rousseau, Chem. Phys. 248 (1999) 53.
12. D. Chamma, O. Henri-Rousseau, Chem. Phys. 248 (1999) 71.
13. D. Chamma, O. Henri-Rousseau, Chem. Phys. 248 (1999) 91.
14. H.T. Flakus, J. Mol. Struct. 187 (1989) 35.
15. H.T. Flakus, A. Bańczyk, J. Mol. Struct 476 (1999) 57.
16. H.T. Flakus, A. Miros, J. Mol. Struct. 484 (1999) 103.
17. H.T. Flakus, A. Miros, P.G. Jones, Spectrochim. Acta A 58 (2001) 225.
18. H.T. Flakus, M. Chelmecki, Spectrochim. Acta A 58 (2002) 179.
19. H.T. Flakus, A. Miros, P.G. Jones, J. Mol. Struct. 604 (2002) 29.
20. R.J. Jakobsen, J.W. Brasch, Y. Mikawa, J. Mol. Struct. 1 (1967) 309.
21. I.D. Mikhailov, V.A. Savelev, N.D. Sokolov, N.G. Bokh, Phys. Status Solidi 57 (1973) 719.
22. H.T. Flakus, A. Tyl, P.G. Jones, Spectrochim. Acta A 58 (2002) 299.
23. H.T. Flakus, A. Machelska, Spectrochim. Acta A 58 (2002) 555.
24. H.T. Flakus, J. Mol. Struct. (Theochem) 285 (1993) 281.
25. G. Fisher, Vibronic Coupling, Academic Press, London, 1984.
26. H.T. Flakus, A. Machelska, J. Mol. Struct. 447 (1998) 97.
27. G. Zundel, Easily polarizable hydrogen bonds - their interactions with the environment - IR continuum and anomalous large proton conductivity, in: P. Schuster, G. Zundel, C. Sandorfy (Eds.), The Hydrogen Bond, Recent Developments in Theory and Experiment, Part II, 1976, p. 683.
28. C.M. Davis Jr., A. Litovitz, J. Chem. Phys. 42 (1965) 2563.
29. R. Kono, T, A. Litovitz, G.E. Duffie, J. Chem. Phys. 45 (1966) 1790.
30. F.H. Stillinger, Science 209 (1980) 451.
31. S.S. Xanteas, Cooperative effects in water clusters, in: S.S. Xanteas (Ed.), Recent Theoretical And Experimental Advances In Hydrogen Bonded Clusters, Kluwer, Dordecht, The Netherlands, 2000, p. 119.
32. K. Morokuma, K. Kitaura, Variational approach (SCF abinitio calculations) to the study of molecular interactions: the origin of molecular interactions, in: H. Ratajczak, W.J. Orville-Thomas (Eds.), Molecular Interactions, 1, Wiley, New York, 1980.
33. K.N. Solov'ev, J.E. Zalesski, V.N. Kotlo, S.F. Shkirman, J. Exp. Theoret. Phys. Lett. 17 (1973) 332.
34. J. Völker, J.H. van der Waals, Mol. Phys. 32 (1976) 1703.
35. J. Völker, R.M. Macfarlane, A.Z. Genack, H.P. Tromsdorff, J.H. van der Waals, J. Chem. Phys. 67 (1977) 1759.
36. J.G. Radziszewski, J. Waluk, J. Michl, Chem. Phys. 136 (1989) 165.
37. C.A. Taylor, M.A. El-Bayoumi, M. Kasha, Proc. Natl. Acad. Sci. USA 63 (1969) 253.
38. Y. Marechal, J. Mol. Struct. 32 (1994) 125.