Theoretical study on the effect of α-substituents on the properties of vinyl radicals

Research on Chemical Intermediates

Volumn 22, Issue 4, 1996, Pages 369-379

  Guerra, Maurizio ^a  

^a CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0040290162     PISSN: 09226168     EISSN: None     Source Type: Journal    
DOI: 10.1163/156856796X00061     Document Type: Article

References (42)

1. L.A. Singer. In: B.S. Thyagarajan (Ed.), Selective Organic Transformations, Wiley, New York, 1972.
2. A.L.J. Beckwith and K.U. Ingold. In: P. de Mayo (Ed.), Rearrangements in Ground and Excited States, 1 Academic Press, New York, 1980.
3. J.O. Metzger and M. Blumenstein, Chem. Ber. 126, 2493 (1993).
4. 2 hybrid orbital and in a p pure orbital, respectively.
5. R.W. Fessenden, J. Phys. Chem 71, 74 (1967).
6. E.L. Cochran, F.J. Adrian, and V.A. Bowers, J. Chem. Phys 40, 213, (1964).
7. D.M. Schrader and M. Karplus, J. Chem. Phys. 40, 1593, (1964).
8. D. Griller, J.W. Cooper, and K.U. Ingold, J. Am. Chem. Soc., 97, 4269 (1975).
9. H.G. Korth, J. Lusztyk, and K.U. Ingold, J. Chem. Soc., Perkin Trans 2, 1997 (1990).
10. O. Ito, R. Omori, and M. Matsuda, J. Am. Chem. Soc. 104, 3934 (1982).
11. M. Guerra, J. Am. Chem. Soc. 115, 11296 (1993).
12. M. Guerra, J. Chem Soc., Perkin Trans 2 1817 (1995).
13. M. Guerra, Chem. Phys. Lett 237, 61 (1995).
14. M. Guerra, J. Chem. Soc. Perkin Trans 2, submitted for publication.
15. M. Guerra, J. Phys. Chem. 99, 81 (1995).
16. M.J. Frisch, G.W. Trucks, M. Head-Gordon, P.M.W. Gill, M W. Wong, J.B. Foresman, B.G. Johnson, H.B. Schlegel, M A. Robb, E.S. Replogle, R Gomperts, J.L. Andres, K. Raghavachari, J.S. Binkley, C. Gonzalez, R.L. Martin, D.J. Fox, D.J. Defrees, J. Baker, J.J.P. Stewart, and J.A. Pople, GAUSSIAN 92, Revision C, Gaussian, Inc., Pittsburgh PA, 1992.
17. R. Krishnan, J.S. Binkley, R. Seeger, and J.A. Pople, J. Chem. Phys. 72, 650, (1980).
18. A.D. McLean and G.S. Chandler, J. Chem. Phys. 72, 5639 (1980).
19. M.J. Frisch, J.A. Pople, and J.S. Binkley, J. Chem. Phys. 80, 3265, 3269 (1984).
20. T.H. Dunning and J.P. Hay. In: H.F. Schaefer III, (Ed.), Modern Theoretical Chemistry, Plenum Press, New York, 1976.
21. K.B. Wiberg, C.M. Hadad, T.J. Le Page, C.R. Breneman, and M.J. Frisch, J. Phys. Chem 96, 671 (1992).
22. R. Krishnan, M.J. Frisch, and J.A. Pople, J. Chem Phys 72, 4244 (1980).
23. M. Guerra, Pure and Appl Chem. 67, 797 (1995).
24. C.J. Cramer and M.H. Lim, J. Phys. Chem. 98, 5024 (1994).
25. I. Carmichael, J. Phys. Chem. 98, 5044 (1994).
26. H.B. Schlegel, J. Phys Chem 92, 3075 (1988).
27. P. Millie, B. Levy, and G. Berthier, Int. J. Quantum Chem. 6, 155 (1972).
28. H.E. Hunziker, H. Kneppe, A.D. McLean, P. Siegbahn, and H.R. Wendt, Can. J. Chem. 61, 993 (1983).
29. A.L. Allred and E.G. Rochow, J. Inorg Nucl Chem. 5, 264 (1958).
30. L. Pauling, J. Chem. Phys. 51, 2767 (1969)
31. R. C. Bingham and M.J.S. Dewar, J. Am Chem. Soc. 95, 7180, 7182 (1973).
32. R.W. Fessenden and R.H. Schuler, J. Chem. Phys 39, 2147 (1963).
33. L. A. Singer and N.P. Kong, J. Am. Chem. Soc. 89, 5251, (1967).
34. M.S. Liu, S. Soloway, D.K. Wedegaertner, and J.A. Kampmeier, J. Am. Chem. Soc. 93, 3809, (1971).
35. C.J. Rhodes and M.C.R. Symons, J. Chem. Soc., Faraday Trans. 1 84, 4495 (1988).
36. W. Cherry, N. Epiotis, and W.T. Borden, Acc. Chem. Res. 10, 167 (1977).
37. P.W. Atkins and M.C.R. Symons, The Structure of Inorganic Radicals, Elsevier, Amstserdam, 1967.
38. L. Bonazzola, S. Fenistein, and R. Marx, Mol. Phys. 22, 689 (1971).
39. S. Fenistein, R. Marx, C. Moreau, and J. Serre, Theoret. Chim. Acta 14, 339 (1969).
40. P.H. Kasai, L. Skattebøl, and E.B. Whipple, J. Am. Chem. Soc. 90, 4510 (1968).
41. J.E. Bennett and J.A. Howard, Chem. Phys. Lett. 9, 460 (1971).
42. W. Chen and H.B. Schlegel, J. Chem. Phys 101, 5957 (1994).