Comparison of substituent effects in cis and trans formamidines by ab initio 3-21G optimization of molecular structures of fluoro derivatives and their protonation products

Journal fur Praktische Chemie - Chemiker - Zeitung

Volumn 338, Issue 1, 1996, Pages 37-46

  Häfelinger, Günter ^a   Kuske, Frank K H ^a   Oszczapowicz, Janusz ^b  

^a UNIVERSITY OF TÜBINGEN   (Germany)

^b UNIVERSITY OF WARSAW   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33750197286     PISSN: 09411216     EISSN: None     Source Type: Journal    
DOI: 10.1002/prac.19963380106     Document Type: Article

References (39)

1. Part 36. J. Oszczapowicz, J. Jaroszewska-Manaj, B. Jagiełło, Pol. J. Chem. 68 (1994) 1775
2. H. H. Jaffé, Chem. Rev. 53 (1953) 191
3. J. Ševčik, F. Grambal, in "The Chemistry of Amidines and Imidates", Ed. S. Patai, Wiley, London, New York, 1975, p. 565
4. J. Oszczapowicz in "The Chemistry of Amidines and Imidates", Eds. S. Patai, Z. Rappoport, Wiley, London, 1991, Vol. 2, p. 623, and references therein
5. J. Oszczapowicz, K. Ciszkowski, J. Chem. Soc., Perkin Trans. 2 1987, 663
6. J. Oszczapowicz , W. Krawczyk, J. Chem. Soc., Perkin Trans. 2 1989, 21
7. J. Oszczapowicz, W. Krawczyk, P. Łyżwiński, J. Chem. Soc., Perkin Trans. 2 1990, 311
8. J. Oszczapowicz, J. Jaroszewska-Manaj, J. Chem. Soc., Perkin Trans. 2 1991, 1677
9. J. Oszczapowicz, M. Kumińska, J. Chem. Soc., Perkin Trans. 2 1994, 103
10. J. Oszczapowicz, J. Jaroszewska-Manaj, K. Ciszkowski, Polish J. Chem. 67 (1993) 2159
11. J. Oszczapowicz, J. Jaroszewska-Manaj, B. Jagiełło, Polish J. Chem. 68 (1994) 1775
12. J. Oszczapowicz, C. U. Regelmann, G. Häfelinger, J. Chem. Soc., Perkin Trans. 2 1990, 1551
13. T. J. Zielinski, M. R. Peterson, I. G. Csizmadia, R. Rein, J. Comput. Chem. 3 (1982) 62
14. G. Häfelinger, F. K. H. Kuske, in "The Chemistry of Amidines and Imidates", Eds. S. Patai, Rappoport, Wiley, London 1991, Vol. 2, p. 1
15. I. Buśko-Oszczapowicz, J. Oszczapowicz, in "The Chemistry of Amidines and Imidates", Eds. Patai, Z. Rappoport, Wiley, London 1991, Vol. 2, p. 231, and references therein
16. I. G. Csizmadia, Theory and Practice of MO-Calculations on Organic Molecules, Elsevier, Amsterdam, 1976
17. P. Čarsky, M. Urban, Ab initio Calculations. Lecture Notes in Chemistry, Vol. 16, Springer, Berlin 1980
18. A. Szabo, N. S. Ostlund, Modern Quantum Chemistry Introduction to Advanced Electron Structure Theory, MacMillan, New York, 1982
19. W. J. Hehre, L. Radom, P. von R. Schleyer, J. A. Pople, Ab initio Molecular Orbital Theory, Wiley, London, 1986
20. C. E. Dykstra, Ab initio Calculations of the Structures and Properties of Molecules, Elsevier, Amsterdam, 1988
21. B. A. Murtagh, R. W. H. Sargent, Comput. J. 13 (1970) 185
22. J. S. Binkley, M. J. Frisch, D. J. DeFrees, K. Raghava chari, R. A. Whiteside, H. B. Schlegel, M. Fluder, J. A. Pople, GAUSSIAN 82. Carnegie-Mellon Quantum Chemistry Publishing Unit, Pittsburgh PA, 1984
23. J. S. Binkley, J. A. Pople, W. J. Hehre, J. Am. Chem. Soc. 102 (1980) 939
24. Calculations at the "Zentrum für Datenverarbeitung der Universität Tübingen"
25. T. J. Zielinski, R. A. Poirer, M. R. Peterson, I. G. Csizmadia, J. Comput. Chem. 4 (1983) 419
26. T. J. Zielinski, R. A. Poirer, J. Comput. Chem. 5 (1984) 466
27. G. Häfelinger, U. Regelmann, T. M. Krygowski, K. Wożniak, J. Comput. Chem. 10 (1989) 329
28. S. R. Gandhi, M. A. Benzel, C. E. Dykstra, T. Fukunaka, J. Phys. Chem. 86 (1982) 3121, and references therein
29. O. Exner, Prog. Phys. Org. Chem. 10 (1973) 411
30. E. Raczyńska, J. Oszczapowicz, Tetrahedron 41 (1985) 5175
31. K. S. Pitzer, J. L. Hollenberg, J. Am. Chem Soc. 76 (1954) 1493
32. N. C. Craig, L. G. Pipe, V. L. Wheller, J. Phys. Chem. 75 (1973) 1453
33. R. R. Pappalardo, G. S. Marcos, M. F. Ruiz-Lopez, D. Rinaldi, J.-L. Rivail, J. Phys. Org. Chem. 4 (1991) 141
34. P. Pulay, F. Török, J. Mol. Struct. 29 (1975) 239
35. K. Pearson, F. J. Lovas, J. Chem. Phys. 66 (1977) 4149.
36. rd ed. 1983
37. R. Anulewicz, T. M. Krygowski, B. Pniewska, J. Cryst. Spectrosc. Res. 17 (1987) 661
38. H. A. Bent, Chem. Rev. 61 (1961) 275
39. T. M. Krygowski, J. Chem. Res. (S) 1984, 234