On the nature of the interaction in donor-acceptor van der Waals complexes: BH3⋯CO, BF3⋯CO, BH3⋯NH3 and BF3⋯NH3

Journal of Molecular Structure: THEOCHEM

Volumn 426, Issue 1-3, 1998, Pages 171-179

  Rayon V M ^a   Sordo, J A ^a  

^a UNIVERSITY OF OVIEDO   (Spain)

Author keywords

Ab initio calculations; Donor acceptor complexes; Van der Waals complexes

Indexed keywords

EID: 0003853794     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(97)00318-7     Document Type: Article

References (42)

1. (a) Van der Waals Interactions, Chemical Reviews 88 (1988) 813-988;
2. (b) Van der Waals Molecules, Chemical Reviews 94 (1994) 1721-2160.
3. P. Hobza, R. Zahradník, Chemical Reviews 88 (1988) 871.
4. G. Chalasinski, M. Gutowski, Chemical Reviews 88 (1988) 943.
5. A.D. Buckingham, P.W. Fowler, J.M. Hutson, Chemical Reviews 88 (1988) 963.
6. G. Chalasinski, M.M. Szczesniak, Chemical Reviews 94 (1994) 1723.
7. V. Jonas, G. Frenking, M.T. Reetz, Journal of the American Chemical Society 116 (1994) 8741.
8. (a) K. Morokuma, Journal of Chemical Physics 55 (1971) 1236;
9. (b) K. Morokuma, Accounts of Chemical Research 10 (1977) 294.
10. (a) I. Roeggen, Journal of Chemical Physics 79 (1983) 5520;
11. (b) I. Roeggen, G. Reza, Ahmadi, P.A. Wind, Journal of Chemical Physics 99 (1993) 277.
12. E.D. Glendening, A.J. Streitwieser, Journal of Chemical Physics 100 (1994) 2900.
13. A.E. Reed, L.A. Curtiss, F. Weinhold, Chemical Reviews 88 (1988) 899.
14. (a) R.F.W. Bader, Accounts of Chemical Research 18 (1985) 9;
15. (b) R.F.W. Bader, Atoms in Molecules. A Quantum Theory, Oxford University Press, New York, 1990.
16. M.I. Menéndez, J.A. Sordo, T.L. Sordo, Journal of Physical Chemistry 96 (1992) 1185;
17. (b) R. López, M.I. Menéndez, D. Suárez, T.L. Sordo, J.A. Sordo, Computer Physics Communications 76 (1993) 235.
18. V. Jonas, G. Frenking, Journal of the Chemical Society. Chemical Communications (1994) 1489.
19. D. Fujiang, P. W. Fowler, A.C. Legon, Journal of the Chemical Society. Chemical Communications (1995) 113.
20. E. Iglesias, T.L. Sordo, J.A. Sordo, Chemical Physics Letters 248 (1996) 179.
21. S.F. Boys, F. Bernardi, Molecular Physics 19 (1970) 553.
22. J.A. Sordo, T.L. Sordo, G.M. Fernández, R. Gomperts, S. Chin, E. Clementi, Journal of Chemical Physics 90 (1989) 6361.
23. S.S. Xantheas, Journal of Chemical Physics 104 (1996) 8821.
24. M.J. Frisch et al., Gaussian 94, Gaussian, Inc.: Pittsburgh, PA, 1995.
25. K.R. Leopold, G.T. Fraser, S.E. Novick, W. Klemperer, Chemical Reviews 94 (1994) 1807.
26. H. Fujimoto, S. Kato, S. Yamabe, K. Fukui, Journal of Chemical Physics 60 (1974) 572.
27. See for example: (a) R. López, J.A. Sordo, T.L. Sordo, Journal of the Chemical Society. Chemical Communications (1993) 1751;
28. (b) X. Assfeld, J. González, R. López, M.F. Ruiz-López, J.A. Sordo, T.L. Sordo, Journal of Computational Chemistry 15 (1994) 479;
29. (c) D. Suárez, X. Assfeld, M.F. Ruiz-López, T.L. Sordo, J.A. Sordo, Journal of the Chemical Society. Chemical Communications (1994) 1683:
30. (d) D. Suárez, J. Gonzalez, T.L. Sordo, J. A. Sordo, Journal of Organic Chemistry 59 (1994) 8058;
31. (e) D. Suárez, T.L. Sordo, J.A. Sordo, Journal of Organic Chemistry 60 (1995) 2848;
32. (f) D. Suárez, J.A. Sordo, T.L. Sordo, Journal of Physical Chemistry 100 (1996) 13462.
33. S. Inagaki, H. Fujimoto, K. Fukui, Journal of the American Chemical Society 97 (1975) 6108. (and references therein).
34. D. Cremer, E. Kraka, Angewandte Chemie 23 (1984) 627.
35. D. Cremer, E. Kraka, Croatica Chemica Acta 57 (1984) 1259.
36. G. Klopman, Journal of the American Chemical Society 90 (1968) 223.
37. L. Salem, Journal of the American Chemical Society 90 (1968) 453-553.
38. I. Fleming, Frontier Orbitals and Organic Chemical Reactions. Wiley, Chichester, 1976.
39. (a) D.B. Cook, T.L. Sordo, J.A. Sordo, Journal of the Chemical Society. Chemical Communications (1990) 185;
40. (b) D.B. Cook, J.A. Sordo, T.L. Sordo, International Journal of Quantum Chemistry 48 (1993) 375;
41. (c) A.T. Pudzianowski, Journal of Chemical Physics 102 (1995) 8029.
42. E.J. Sluyts, B.J. van der Veken, Journal of the American Chemical Society 118 (1996) 440.