Diels-Alder reaction: A theoretical comprehensive study of substituent effects using the 'H* method'

Journal of Molecular Structure: THEOCHEM

Volumn 758, Issue 2-3, 2006, Pages 161-167

  Dumont, Elise ^a   Chaquin, Patrick ^a  

^a LABORATOIRE DE CHIMIE THÉORIQUE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 32044438434     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.10.026     Document Type: Article

References (21)

1. O. Diels, and K. Alder Justus Liebigs Ann. Chem. 460 1928 98
2. K. Fukui Theory of Orientation and Stereoselection 1970 Springer Heidelberg/Germany
3. W. Carruthers Cycloadditions Reactions in Organic Synthesis Tetrahedron Organic Chemistry Series vol. 8 1990 Pergamon New York
4. I.E. Marko, and G.R. Evans Tetrahedron Lett. 35 1994 2767
5. (a) R. Robiette, J. Marchand-Brynaert, D. Peeters, J. Org. Chem. 67 (2002) 6823.
6. (b) R.J. Loncharich, F.K. Brown, K.N. Houk, J. Org. Chem. 54 (1989) 1129-1134.
7. (c) V. Branchadell, J. Quant. Chem. 3 (1997) 381-388.
8. S.K. Shakohova, and B.S. Elyanov Russ. Chem. Bull. 22 7 1973 1461 1465
9. C. Hansch, A. Leo, and R.W. Taft Chem. Rev. 91 1991 165
10. C. Spino, M. Pesant, and Y. Dory Angew. Chem. Int. Ed. Engl. 37 1998 3262
11. E. Dumont, and P. Chaquin J. Mol. Struct. (Theochem) 680 2004 99
12. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
13. A.D. Becke J. Chem. Phys. 96 1993 5648
14. Frisch M.J. et al., GAUSSIAN 03, Revision C.02, Gaussian, Inc., Wallingford CT, (2004).
15. R.B. Woodward, and R. Hoffman The Conservation of Orbital Symmetry 1970 Verlag Chemie New York
16. S.C. Pellegrinet, M.A. Silva, and J.M. Goodman J. Am. Chem. Soc. 123 2001 8832
17. S.H. Jung, and S.H. Kim Bull. Korean Chem. Soc. 24 2003 13
18. S. Yamabe, Y. Nishihara, and M. Tsutomu J. Phys. Chem. A 106 2002 4980
19. J. Sauer Angew. Chem. Int. Ed. Engl. 6 1967 16
20. R. Sustmann Tetrahedron Lett. 29 1971 2721
21. R. Sustmann, and R. Schubert Angew. Chem. Int. Ed. Engl. 11 1972 840