New look at free radical addition to olefins using local reactivity indices

Journal of the Chemical Society. Perkin Transactions 2

Volumn , Issue 8, 1997, Pages 1415-1417

  Chandra, Asit K ^a   Nguyen, Minh Tho ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000004720     PISSN: 03009580     EISSN: None     Source Type: Journal    
DOI: 10.1039/a701705g     Document Type: Article

References (29)

1. R. G. Pearson, Hard and Soft Acids and Bases, Dowden, Hutchinson and Ross, Stroudsville, PA, 1973.
2. R. G. Pearson and R. G. Parr, J. Am. Chem. Soc., 1983, 105, 7512.
3. R. F. Nalewajski, J. Am. Chem. Soc., 1984, 106, 944.
4. R. G. Parr and W. Yang, Density-functional theory of atoms and molecules, Oxford University Press, Oxford, 1989.
5. W. Yang and W. J. Mortier, J. Am. Chem. Soc., 1986, 108, 5708.
6. W. Langenaeker, M. De Decker and P. Geerlings, J. Mol. Struct. (THEOCHEM), 1990, 207, 115.
7. W. Langenaeker, K. Demel and P. Geerlings, J. Mol. Struct. (THEOCHEM), 1991, 234, 329.
8. M. Galvan, A. Dal Pino and J. D. Joannopoulos, Phys. Rev. Lett., 1993, 70, 21.
9. F. Méndez, M. Galvan, A. Garritz, A. Vela and J. L. Gazquez, J. Mol. Struct. (THEOCHEM), 1992, 277, 81.
10. R. G. Parr and W. Yang, J. Am. Chem. Soc., 1984, 106, 4049.
11. W. Yang and R. G. Parr, Proc. Natl. Acad. Sci. USA, 1985, 82, 6723.
12. J. L. Gazquez and F. Méndez, J. Phys. Chem., 1994, 98, 4591.
13. S. Damoun, G. Van de Wounde, F. Méndez and P. Geerlings, J. Phys. Chem., 1997, 101, 886.
14. V. Bonacic-Koutecky, J. Koutecky and L. Salem, J. Am. Chem. Soc., 1977, 99, 842.
15. J. M. Tedder and J. C. Walton, Adv. Phys. Org. Chem., 1978, 16, 51.
16. J. M. Poblet, E. Canadell and T. Sordo, Can. J. Chem., 1983, 61, 2068.
17. R. Arnaud, R. Subra, V. Barone, F. Lelj, S. Olivella, A. Solé and N. Russo, J. Chem. Soc., Perkin Trans. 2, 1986, 1517.
18. H. Zipse, J. He, K. N. Houk and B. Giese, J Am. Chem. Soc., 1991, 113, 4324.
19. M. W. Wong, A. Pross and L. Radom, J. Am. Chem. Soc., 1993, 115, 11 050.
20. A. Bottoni, J. Chem. Soc., Perkin Trans. 2, 1996, 2041.
21. R. F. Nalewajski and R. G. Parr, J. Chem. Phys., 1982, 77, 399.
22. C. Lee, W. Yang and R. G. Parr, Phys. Rev. Sect. B, 1988, 37, 785.
23. A. D. Becke, J. Chem. Phys., 1993, 98, 5648.
24. Gaussian-94, Revision C.3, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez and J. A. Pople, Gaussian, Inc., Pittsburgh, PA, 1995.
25. F. D. Proft, J. M. L. Martin and P. Geerlings, Chem. Phys. Lett., 1996, 250, 393.
26. P. Geerlings, F. D. Proft and J. M. L. Martin, in Recent Developments in Density Functional Theory (vol. 5 in Theoretical and Computational Chemistry), ed. S. Seminario, Elsevier, Amsterdam, 1996, pp. 773-809.
27. F. D. Proft, W. Langenaeker and P. Geerlings, J. Phys. Chem., 1993, 97, 1826.
28. X. Jiang, Y. Zhang and W. F. Ding, J. Chem. Res., 1997, 6.
29. A. K. Chandra, P. Geerlings and M. T. Nguyen, J. Org. Chem., in the press.