Symmetry Restrictions as Starting Point for the Determination of Geometric Representations and the Dynamics of Cyclic π Systems

International Journal of Quantum Chemistry

Volumn 77, Issue 3, 2000, Pages 641-650

  Buck, Henk ^a  

^a Kasteel Twikkelerf 94   (Netherlands)

Author keywords

Aromaticity antiaromaticity; Even odd rings; MO calculations

Indexed keywords

EID: 0000754702     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(2000)77:3<641::AID-QUA5>3.0.CO;2-R     Document Type: Article

References (36)

1. Kroto, H. W.; Heath, J. R.; O'Brien, S. C.; Curl, R. F.; Smalley, R. E. Nature 1985, 318, 162.
2. Fedurco, M.; Olmstead, M. M.; Fawcett, W. R. Inorg Chem 1995, 34, 390.
3. Haddon, R. C. J Am Chem Soc 1997, 119, 1797.
4. Forkey, D. M.; Atter, S.; Noll, B. C.; Koerner, R.; Olmstead, M. M.; Balch, A. L. J Am Chem Soc 1997, 119, 5766.
5. Taki, M.; Sugita, S.; Nakamura, Y.; Kasashima, E.; Yashima, E.; Okamoto, Y.; Nishimura, J. J Am Chem Soc 1997, 119, 926.
6. Glendening, E. D.; Faust, R.; Streitwieser, Jr., A.; Vollhardt, K. P. C.; Weinhold, F. J Am Chem Soc 1993, 115, 10952.
7. Hiberty, P. C.; Danovich, D.; Shurki, A.; Shaik, S. J Am Chem Soc 1995, 117, 7760, and references therein.
8. Gobbi, A.; Yamaguchi, Y.; Frenking, G.; Schaefer III, H. F. Chem Phys Lett 1995, 244, 7.
9. Streitwieser, Jr., A.; Heathcock, C. H. Introduction to Organic Chemistry; Macmillan: New York, 1985; p. 614.
10. Kiyobayashi, T.; Sakiyama, M.; Sorai, M.; Mitchell, R. H. J Org Chem 1997, 62, 7469.
11. von Ragué Schleyer, P.; Maerker, C.; Dransfeld, A.; Jiao, H.; van Eikema Hommes, N. J. R. J Am Chem Soc 1996, 118, 6317.
12. Part of this article has been communicated at the meeting of the Royal Netherlands Academy of Arts and Sciences 26 May 1997: Buck, H. M. Report Physics of the Royal Netherlands Academy of Arts and Sciences 1997, 106(5), 53.
13. Larsson, S.; Rodriguez-Monge, L. Int J Quant Chem 1998, 67, 107, and references therein. Longuett-Higgins, H. C.; Salem, L. Proc Roy Soc (London) 1959, A251, 172.
14. Larsson, S.; Rodriguez-Monge, L. Int J Quant Chem 1998, 67, 107, and references therein. Longuett-Higgins, H. C.; Salem, L. Proc Roy Soc (London) 1959, A251, 172.
15. Streitwieser, Jr., A. Molecular Orbital Theory for Organic Chemists; Wiley: New York, 1961; pp. 166-167.
16. Groenenboom, G. C. Ph.D. Thesis, University of Technology Eindhoven (1991).
17. Buck, H. M. Reel Trav Chim Pays-Bas 1996, 115, 329. All distances and energies for the various linkages are taken from textbooks.
18. von Ragué Schleyer, P.; Bremer, M. Angew Chem 1989, 101, 1264.
19. Buck, H. M.; van der Lugt, W. Th. A. M.; Oosterhoff, L. J. Tetrahedron 1963, 19, Suppl 2, 173.
20. Lennard-Jones, J. C.; Turkevich, J. Proc Roy Soc (London) 1937, A158, 297.
21. Heilbronner, E.; Bock, H. Das HMO-Modell und seine Anwendung; Verlag Chemie: Weinheim, 1968.
22. Dewar, M. J. S. The Molecular Orbital Theory of Organic Chemistry; McGraw-Hill: New York, 1969; pp. 177-178.
23. Heilbronner, E.; Bock, H. Das HMO-Modell und seine Anwendung; Verlag Chemie: Weinheim, 1968; pp. 252-253.
24. Goldberg, S. Z.; Raymond, K. N.; Harmon, C. A.; Templeton, D. H. J Am Chem Soc 1974, 96, 1348.
25. Noordik, J. H.; van den Hark, Th. E. M.; Mooy, J. J.; Klaassen, A. A. K. Acta Cryst 1974, B30, 833.
26. Jesse, R. E.; Biloen, P.; Prins, R.; van Voorts, J. D. W.; Hoytink, G. J. Mol Phys 1963, 6, 633.
27. Wasserman, E.; Hutton, R. S.; Kuck, V. J.; Chandross, E. A. J Am Chem Soc 1974, 96, 1965.
28. Saunders, M.; Berger, R.; Jaffe, A.; McBride, J. M.; O'Neill, J.; Breslow, R.; Hoffman, Jr., J. M.; Perchonock, C.; Wasserman, E.; Hutton, R. S.; Kuck, V. J. J Am Chem Soc 1973, 95, 3017.
29. Schipper, P.; Buck, H. M. J Am Chem Soc 1978, 100, 5507.
30. Seburg, R. A.; Patterson, E. V.; Stanton, J. F.; McMahon, R. J. J Am Chem Soc 1997, 119, 5847.
31. Schultz, P. A.; Messmer, R. P. J Am Chem Soc 1993, 115, 10943.
32. Parr, R. G. Quantum Theory of Molecular Electronic Structure; W. A. Benjamin: New York, 1963.
33. van der Lugt, W. Th. A. M. Ph.D. Thesis, University of Leiden (1968).
34. Glasbeek, M.; Visser, A. J. W.; Maas, G. A.; van Voorst, J. D. W.; Hoytink, G. J. Chem Phys Lett 1968, 2, 312.
35. Yoshizawa, K.; Kato, T.; Yamabe, T. J Phys Chem 1996, 100, 5697.
36. Choi, C. H.; Kertesz, M. J Am Chem Soc 1997, 119, 11994.