The Use of Global and Local Molecular Parameters for the Analysis of the Gas-Phase Basicity of Amines

Journal of the American Chemical Society

Volumn 108, Issue 19, 1986, Pages 5708-5711

  Yang, Weitao ^a   Mortier, Wilfried J ^b  

^a UNIVERSITY OF NORTH CAROLINA   (United States)

^b UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33845375966     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja00279a008     Document Type: Article

References (31)

1. Fukui, K. Theory of Orientation and Stereoselection; Springer-Verlag: Berlin, 1973; p 134.
2. Fukui, K. Science (Washington, DC) 1982, 218, 747–754.
3. Parr, R. G.; Yang, W. J. Am. Chem. Soc. 1984, 106, 4049–4050.
4. Yang, W.; Parr, R. G.; Pucci, R. J. Chem. Phys. 1984, 81, 2862–2863.
5. Hohenberg, P.; Kohn, W. Phys. Rev. 1964, 136, B864-B871.
6. Parr, R. G. Annu. Rev. Phys. Chem. 1983, 34, 631–656.
7. Parr, R. G.; Pearson, R. G. J. Am. Chem. Soc. 1983, 105, 7512–7516.
8. Huheey, J. E. J. Org. Chem. 1971, 36, 204–205.
9. Hutchings, M. G.; Gasteiger, J. Tetrahedron Lett. 1983, 25, 2541–2544.
10. Gasteiger, J.; Hutchings, M. G. J. Am. Chem. Soc. 1984, 106, 6489–6495.
11. Van Genechten, K.; Mortier, W. J. J. Phys. Chem., submitted for publication.
12. Mulliken, R. S. J. Chem. Phys. 1934, 2, 782–793.
13. Mortier, W. J.; Ghosh, S. K.; Shankar, S. J. Am. Chem. Soc., in press.
14. Sanderson, R. T. Chemical Bonds and Bond Energy; Academic Press: New York, 1976.
15. Sanderson, R. T. Polar Covalence; Academic Press: New York, 1983.
16. Mortier, W. J. In Electronegativity; Sen, K. D., Ed.; Springer Verlag: Structure and Bonding series, January 1986.
17. Lias, S. G.; Liebman, J. F.; Levin, R. D. J. Phys. Chem. Ref. Data 1984, 13, 695.
18. Yang, W.; Parr, R. G. Proc. Natl. Acad. Sci. U.S.A. 1985, 82, 6723.
19. Mulliken, R. S. J. Chem. Phys. 1955, 23, 1833–1840.
20. Frisch, M. Gaussian 82, Release A Version; Carnegie-Mellon: Pittsburgh, 1983.
21. Pople, J. A.; Gordon, M. J. Am. Chem. Soc. 1967, 89, 4253-4261.
22. Ternay, A. L., Jr. Contemporary Organic Chemistry; 2nd ed.; W. B. Saunders: Philadelphia, 1979; p 683.
23. Jacobs, P. A.; Mortier, W. J.; Uytterhoeven, J. B. J. Inorg. Nucl. Chem. 1978, 40, 1919–1923.
24. Siegbahn, K.; Nordling, C.; Johansson, G.; Hedman, J.; Heden, P. F.; Hamrin, K.; Gelius, V.; Bergmark, T.; Weime, L. O.; Manne, R.; Baer, Y. ESCA Applied to Free Molecules; North-Holland: Amsterdam, 1969; p 104
25. Swartz, W. E., Jr.; Watts, P. H., Jr.; Lippincot, E. R.; Watts, J. C.; Huheey, J. E. Inorg. Chem. 1972, 11, 2632–2634.
26. Jolly, W. L.; Perry, W. B. J. Am. Chem. Soc. 1973, 95, 5442–5450.
27. Gray, R. C.; Hercules, D. M. J. Electron Spectrosc. Relat. Phenom. 1977, 12, 37–53.
28. Gasteiger, J.; Marsili, M. Tetrahedron 1980, 36, 3219–3228.
29. Mortier, W. J.; Van Genechten, K.; Gasteiger, J. J. Am. Chem. Soc. 1985, 107, 829–835.
30. Jacobs, P. A.; Mortier, W. J. Zeolites 1982, 2, 226–230.
31. Mortier, W. J.; Sauer, J.; Lercher, J. A.; Noller, H. J. Phys. Chem. 1984, 88, 905–912.