AM1 theoretical study on the mechanism of 1,3-dipolar cycloaddition reaction of 1,2,4-triazepine and formonitrile oxide

Journal of Molecular Structure: THEOCHEM

Volumn 433, Issue 1-3, 1998, Pages 301-309

  Esseffar, M ^a   Jalal, R ^b   El Messaoudi, M ^a   El Mouhtadi, M ^a  

^a FACULTÉ DES SCIENCES SEMLALIA   (Morocco)

^b FACULTÉ DES SCIENCES ET TECHNIQUES GUÉLIZ   (Morocco)

Author keywords

1,2,4 Triazepine; AM1; Cycloaddition reactions; Formonitrile oxide

Indexed keywords

EID: 0008866322     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00035-9     Document Type: Article

References (31)

1. R. Huisgen, Angew. Chem. 2 (1963) 565.
2. R. Huisgen, J. Org. Chem. 41 (1976) 403.
3. R.A. Firestone, J. Org. Chem. 33 (1968) 2285.
4. R.A. Firestone, Tetrahedron 33 (1977) 3009.
5. G. Bianchi, C. de Micheli, R. Gandolfi, in: S. Pataï (Ed.), The Chemistry of double-bonded functional groups, Wiley Interscience, NY, Suppl. A, Part 1, 1977, p. 369.
6. A. Hasnaoui, M. El Messaoudi, J.P. Lavergne, J. Heterocyclic Chem. 22 (1985) 25.
7. A. Hasnaoui, M. El Messaoudi, J.P. Lavergne, Recl. Trav. Chim. Pays-Bas 104 (1985) 129.
8. A. Hasnaoui, M. El Messaoudi, M. El Mouhtadi, J.-M. Goupil, J.P. Lavergne, J. Heterocyclic Chem. 25 (1988) 453.
9. A. Hasnaoui, M. El Messaoudi, M. El Mouhtadi, J.P. Lavergne, Bull. Soc. Chim. Belg. 101 (11) (1992) 977.
10. C. Bellantuono, G. Raggi, G. Tognoni, S. Garattini, Drugs 19 (1980) 195.
11. H. Bartsch, T. Erker, J. Heterocyclic Chem. 25 (1988) 1151.
12. M.J.S. Dewar, E.G. Zoebisch, E.F. Healy, J.J.P. Stewart, J. Am. Chem. Soc. 107 (1985) 3902.
13. R. Fletcher, M.J.D. Powell, J. Computer 6 (1963) 63.
14. W.C. Davidon, J. Computer 10 (1968) 406.
15. D. Poppinger, Chem. Phys. Lett. 35 (1975) 550.
16. D. Liotard, Thesis, Pau University, Department of Chemistry, France, 1979.
17. D. Liotard, Int. J. Quantum Chem. 44 (1992) 723.
18. D. Liotard, J.P. Penot, in: J. Della Dora, J. Demongeot, B. Lacolle (Eds.), Numerical methods in the study of critical phenomena, Springer Series in Synergetics, Springer Verlag, Vol. 9, 1981, p. 213.
19. M.J.S. Dewar, J.J.P. Stewart, QCPE Bull. 6 (1986) 25, QCPE Program 506.
20. M.J.D. Powell, Numerical methods for nonlinear algebraic equations, Pabinowitz, Gordon and Breach New York, 1970, chapters 6 and 7.
21. J.W. McIver, A. Kowornicki, J. Am. Chem. Soc. 94 (1972) 2625.
22. D.R. Armstrong, P.G. Perkins, J.J.P. Stewart, J. Chem. Soc. Dalton Trans. (1973) 838.
23. R. Sustman, Tetrahedron Lett. 29 (1971) 2717.
24. R. Sustman, H. Trill, Angew. Chem. Int. Ed. Engl. 11 (1972) 840.
25. D.G. Truhlar, A. Kupperman, J. Am. Chem. Soc. 93 (1971) 1840.
26. F.H. Allen, O. Kennard, D.G. Watson, J. Chem. Soc. Perkin Trans. II (1987) S1.
27. F. Mari, P.M. Lahti, W.E. McEwan, J. Am. Chem. Soc. 114 (1992) 813.
28. J.J.W. McDoual, M.A. Robb, U. Niazi, F. Bernardi, H.B. Schlegel, J. Am. Chem. Soc. 109 (1987) 4642.
29. F. Bernardi, A. Bottoni, M.J. Field, M.F. Guest, H.I. Hiller, M.A. Robb, A. Venturini, J. Am. Chem. Soc. 110 (1988) 3050.
30. Y. Li, K.N. Houk, J. Am. Chem. Soc. 115 (1993) 7478.
31. K.N. Houk, Y. Li, J. Storer, L. Raimondi, B. Beno, J. Chem. Soc. Faraday Trans. 90 (1994) 1599.