A DFT study of carbonyl oxide and its methyl-substituted analogues in solution

Chemical Physics Letters

Volumn 288, Issue 5-6, 1998, Pages 669-676

  Selçuki, Cenk ^a   Aviyente, Viktorya ^a  

^a BOGAZICI UNIVERSITY   (Turkey)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0032577072     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(98)00354-6     Document Type: Article

References (36)

1. Dewar M.J.S., Jackson G.H., Kuhn D.R. J. Am. Chem. Soc. 113:1991;735.
2. Criegee R. Angew. Chem. Int. Ed. 14:1975;745.
3. Sander W., Kirschfeld A., Kappert W., Muthusamy S., Kiselewsky M. J. Am. Chem. Soc. 118:1996;6508.
4. Bunnelle W. Chem. Rev. 91:1991;335-362.
5. Su J.I., Murray R.W. J. Org. Chem. 45:1980;678.
6. Murray R.W., Agarval S.K. J. Org. Chem. 50:1985;4698.
7. Fliszar S., Granger M. J. Am. Chem. Soc. 91:1969;3330.
8. Bunnelle W.H., Lee S.G. J. Am. Chem. Soc. 114:1992;7577.
9. Gutbrod R., Schindler R.N., Kraka E., Cremer D. Chem. Phys. Lett. 252:1996;221.
10. Murray W.R. Chem. Rev. 89:1989;1187.
11. Sander W. Angew. Chem. Int. Ed. 29:1990;344.
12. Karlström G., Engström S., Jönsson B. Chem. Phys. Lett. 67:1979;343.
13. Karlström G., Roos B.O. Chem. Phys. Lett. 79:1981;416.
14. Yamaguchi K.J. J. Mol. Struct. 103:1983;101.
15. Cremer D. J. Am. Chem. Soc. 101:1979;7199.
16. Cremer D., Gauss J. Chem. Phys. Lett. 163:1989;549.
17. Cremer D. J. Am. Chem. Soc. 103:1981;3619.
18. Cremer D., Schmidt T., Gauss J., Radhakrishnan T.P. Angew. Chem. Int. Ed. 27:1988;427.
19. Cremer D., Schmidt T., Sander W., Bischof P. J. Org. Chem. 54:1989;2515.
20. Kraka E., Sosa C.P., Cremer D. Chem. Phys. Lett. 260:1996;43.
21. Bach R.D., Andres J.L., Owensby A.L., Schlegel H.B., McDouall J.J.W. J. Am. Chem. Soc. 114:1992;7207.
22. Patyk A., Sander W., Gauss J., Cremer D. Angew. Chem. Int. Ed. 28:1989;890.
23. Kahn S.D., Hehre W.J., Pople J.A. J. Am. Chem. Soc. 109:1987;1871.
24. Cremer D., Gauss J., Kraka E., Stanton J.F., Bartlett J. Chem. Phys. Lett. 209:1993;547.
25. Steinke T., Hansele E., Clark T. J. Am. Chem. Soc. 111:1989;9107.
26. Bernhardsson A., Lindh R., Karlstrom G., Ross B.O. Chem. Phys. Lett. 251:1996;141.
27. Rahman M., McKee M.L., Shevlin P.B., Sztyrbicka R. J. Am. Chem. Soc. 110:1988;4402.
28. Anglada J., Bofill J.M. J. Org. Chem. 62:1997;2720.
29. Gutbrod R., Kraka E., Schindler R.N., Cremer D. J. Am. Chem. Soc. 119:1997;7330.
30. M.J. Frisch, M. Head-Gordon, G.W. Trucks, J.B. Foresman, H.B. Schlegel, K. Raghavachari, M.A. Robb, J.S. Binkley, C. Gonzales, D.J. DeFrees, D.J. Fox, R.A. Whiteside, R. Seeger, C.F. Melius, J. Baker, R.L. Martin, L.R. Kahn, J.J.P. Stewart, S. Topiol, J.A. Pople, GAUSSIAN 94, Gaussian, Pittsburgh, PA, 1994.
31. Johnson B.G., Gill P.W.M., Pople J.A. J. Chem. Phys. 97:1992;7846.
32. J.B. Foresman, A. Frisch, Exploring Chemistry with Electronic Structure Methods, 2nd edn., Gaussian, Pittsburgh, PA, 1995-1996.
33. Tomasi J., Bonaccorsi R., Cammi R., Olivares del Valle F.J. J. Mol. Struct. (THEOCHEM). 234:1991;401.
34. Cioslowski J. J. Am. Chem. Soc. 111:1989;8333.
35. J.M.L. Martin, C. Van Alsenoy, GAR2PED (University of Antwerp, 1995).
36. De Proft F., Martin J.M.L., Geerlings P. Chem. Phys. Lett. 250:1996;393.