Understanding the conformational behavior of α-haloacetaldehydes: Orbital interactions versus steric repulsion

Chemical Physics Letters

Volumn 395, Issue 4-6, 2004, Pages 205-209

  Pontes, Rodrigo M ^a   Fiorin, Barbara C ^a   Basso, Ernani A ^a  

^a STATE UNIVERSITY OF MARINGÁ   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

ALDEHYDE DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL INTERACTION; CONFORMATION; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; ENERGY; ISOMERISM; MOLECULAR INTERACTION; ROTATION; STEREOSPECIFICITY;

EID: 4444358620     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.07.066     Document Type: Article

References (27)

1. E.L. Eliel, and S.H. Wilen Stereochemistry of Organic Compounds 1994 Wiley New York
2. E.A. Basso, C. Kaiser, R. Rittner, and J.B. Lambert J. Org. Chem. 58 1993 7865
3. B.C. Fiorin, E.A. Basso, C.F. Tormena, and R. Rittner Can. J. Chem. 82 2004 418
4. A.F. Jalbout, E.A. Basso, R.M. Pontes, and D. Das J. Mol. Struct. (Theochem.) 677 2004 167
5. V. Pophristic, L. Goodman, L. Gorb, and J. Leszczynski J. Chem. Phys. 116 2002 7049
6. B. Lecea, A. Arrieta, and F.P. Cossío J. Org. Chem. 62 1997 6485
7. G.J. Karabatsos, and D.J. Fenoglio J. Am. Chem. Soc. 91 1969 1124
8. W.J. Hehre, J.A. Pople, and A.J.P. Devaquet J. Am. Chem. Soc. 98 1976 664
9. T.B. Malloy Jr., and L.A. Carreira J. Chem. Phys. 66 1977 4246
10. R.G. Ford J. Chem. Phys. 65 1976 354
11. P.H. Phan, and J.R. Durig J. Mol. Struct. (Theochem.) 209 1990 333
12. J.R. Durig, H.V. Phan, T.S. Little, and B.J. Van der Veken J. Mol. Struct. (Theochem.) 202 1989 143
13. S. Dyngeseth, H. Schei, and K. Hagen J. Mol. Struct. 102 1983 45
14. G. Frenking, K.F. Köhler, and M.T. Reetz Tetrahedron 50 1994 11197
15. V. Pophristic, and L. Goodman Nature 411 2001 565
16. F. Weinhold Nature 411 2001 539
17. L. Goodman, V. Pophristic, and F. Weinhold Acc. Chem. Res. 32 1999 983
18. B.-L. Lin, Z. Xie, R. Liu, L. Liu, and Q.-X. Guo J. Mol. Struct. (Theochem.) 633 2003 15
19. P.R. Schreiner Angew. Chem. Int. Ed. 41 2002 3579
20. S.L. Moss, C.D. Murphy, J.T.G. Hamilton, W.C. McRoberts, D. O'Hagan, C. Schaffrath, and D.B. Harper Chem. Commun. 2000 2281
21. R.J. Abraham, A.D. Jones, M.A. Warne, R. Rittner, and C.F. Tormena J. Chem. Soc., Perkin. Trans. 2 1996 533
22. O. Eisenstein, N.T. Anh, J.A. Devaquet, J. Cantacuzène, and L. Salem Tetrahedron 30 1974 1717
23. E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO 3.0 Program Manual, Madison, 1995
24. M.J. Frisch, et al., Gaussian 98, Revision A.11.2, Gaussian, Inc, Pittsburgh, PA, 2001
25. E.D. Glendening, J.K. Badenhoop, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO 4M, Theoretical Chemistry Institute, University of Wisconsin, Madison, WI, 1999
26. R.J. Harrison, et al., NWChem, Version 4.0.1, Pacific Northwest National Laboratory, Washington, 2001
27. J.K. Badenhoop, and F. Weinhold J. Chem. Phys 107 1997 5406