Temperature and pressure dependence of hydrogen bond strength: A perturbation molecular orbital approach

Journal of Chemical Physics

Volumn 109, Issue 17, 1998, Pages 7372-7378

  Dougherty, Ralph C ^a  

^a FLORIDA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001700266     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.477343     Document Type: Article

References (37)

1. A. Werner, Berichte 36, 147 (1903).
2. (a) M. L. Huggins, Science 55, 459 (1922);
3. (b) W. M. Latimer and W. H. Rodebush, J. Am. Chem. Soc. 42, 1419 (1920);
4. (c) G. N. Lewis, Valence and the Structure of Atoms and Molecules (Chemical Catalog, New York, 1923), p. 109.
5. G. C. Pimentel and A. L. McClellan, The Hydrogen Bond (Freeman, San Francisco, 1960);
6. C. A. Coulson, Research London 10, 149 (1957);
7. M. L. Huggins, Angew. Chem. Int. Ed. Engl. 10, 147 (1971).
8. Hydrogen Bonding, edited by D. Hadži and H. W. Thompson (Pergamon, New York, 1959).
9. J. Israelachvili, Intermolecular & Surface Forces, 2nd ed. (Academic, New York, 1992).
10. I. M. Klotz, Ligand-Receptor Energetics (Wiley, New York, 1997).
11. M. W. Chase, Jr., C. A. Davies, J. R. Downey, Jr., D. J. Frurip, R. A. McDonald, and A. N. Syverud, J. Phys. Chem. Ref. Data Suppl. 14, 1 (1985).
12. P. V. Hobbs, Ice Physics (Clarendon, Oxford, 1974).
13. N. Bjerrum, Science 115, 385 (1952).
14. S. La Placa and B. Post, Acta Crystallogr. 13, 503 (1960).
15. Thermal Expansion of Nonmetallic Solids, Thermophysical Properties of Matter, edited by Y. S. Touloukian, R. K. Kirby, R. E. Taylor, and T. Y. R. Lee (Plenum, New York, 1977), Vol. 13.
16. R. C. Dougherty, J. Am. Chem. Soc. 93, 7187 (1971), and references cited therein.
17. M. J. S. Dewar and R. C. Dougherty, The PMO Theory of Organic Chemistry (Plenum, New York, 1975).
18. G. E. Walrafen, M. R. Fisher, M. S. Hokmabadi, and W.-H. Yang, J. Chem. Phys. 85, 6970 (1986).
19. G. S. Kell, J. Chem. Eng. Data 12, 66 (1967).
20. R. C. Dougherty and L. N. Howard, J. Chem. Phys. 109, 7379 (1998), following paper.
21. See, for example, D. Eisenberg and W. Kauzmann, The Structure and Properties of Water (Oxford University Press, New York, 1969), p. 178.
22. Recommended Reference Materials for the Realization of Physicochemical Properties, edited by K. N. Marsh (Blackwell, Oxford, 1987).
23. N. S. Osborne, H. F. Stimson, and D. C. Ginnings, J. Res. Natl. Bur. Stand. 23, 197 (1939).
24. J. M. H. Levelt Sengers, J. Straub, K. Watanabe, and Pg. Hill, J. Phys. Chem. Ref. Data 14, 193 (1985).
25. P. Postorino, R. H. Tromp, M. A. Ricci, A. K. Soper, and G. W. Neilson, Nature (London) 366, 668 (1993);
26. P. Postorino, M. A. Ricci, and A. K. Soper, J. Chem. Phys. 101, 4123 (1994);
27. R. H. Tromp, P. Postorino, G. W. Neilson, M. A. Ricci, and A. K. Soper, 101, 6210 (1994).
28. R. Ludwig, F. Weinhold, and T. C. Farrar, J. Chem. Phys. 103, 3636 (1995);
29. 102, 5118 (1995).
30. R. Ludwig, F. Weinhold, and T. C. Farrar, J. Chem. Phys. 103, 6941 (1995).
31. R. L. Fulton and P. Perhacs, J. Phys. Chem. (in press).
32. P. W. Bridgeman, Proc. Am. Acad. Arts Sci. 47, 441 (1911 -1912).
33. W. A. Roth and K. Scheel, Landolt-Börnstein Physikalisch Chemische Tabellen (Springer, Berlin, 1927).
34. S. Scheiner, Hydrogen Bonding (Oxford University Press, New York, 1997).
35. W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983).
36. R. P. Feynman, Phys. Rev. 56, 340 (1939).
37. R. C. Dougherty, Tetrahedron Lett. 1975, 385.