Structure, stability and aromaticity of bis-heteropentalenes

Journal of Molecular Structure: THEOCHEM

Volumn 398-399, Issue , 1997, Pages 315-323

  Novak, Igor ^a  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

Aromaticity; DFT calculations; Five membered ring heterocycles

Indexed keywords

EID: 0000803696     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(96)05006-3     Document Type: Article

References (23)

1. P. von Rague Schleyer, H. Jiao, Pure Appl. Chem. 68 (1996) 209.
2. P. von Rague Schleyer, P.K. Freeman, H. Jiao, B. Goldfuss, Angew. Chem. Int. Ed. Engl. 34 (1995) 337.
3. I. Novak, S.C. Ng, Y.T. Chua, CY. Mok, H.H. Huang, J. Phys. Chem. 98 (1994) 5240.
4. M. Coustale, C. Guimon, J. Arriau, G. Pfister-Guillouzo, J. Heterocyclic Chem. 13 (1975) 231.
5. R. Gleiter, M. Kobayashi, J. Spanget-Larsen, S. Gronowitz, A. Konar, M. Farnier, J. Org. Chem. 42 (1977) 2230.
6. R. Gleiter, M. Eckert-Maksic, A. Konar, Chem. Ber. 120 (1987) 1917.
7. N. Sato, Y. Mazaki, K. Kobayashi, T. Kobayashi, J. Chem. Soc., Perkin Trans. 2 (1992) 765.
8. T. Kobayashi, K. Ozaki, S. Yoneda, J. Am. Chem. Soc. 110 (1988) 1793.
9. J. Andzelm, E. Wimmer, J. Chem. Phys. 96 (1992) 1280.
10. UniChem, version 2.3. 1, Cray Research Inc.
11. C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37 (1988) 785.
12. R.H. Hertwig, W. Koch, J. Comput. Chem. 16 (1995) 576.
13. S.J. Mole, X. Zhou, R. Liu, J. Phys. Chem. 100 (1996) 14665.
14. Landolt-Börnstein, Structure Data of Free Polyatomic Molecules, K-H. Hellwege and AM. Hellwege (Eds.), Group II, Vol. 7, Springer, Berlin, 1976, pp. 269-273.
15. R.D. Brown, J.G. Crofts, Chem. Phys. 1 (1973) 217.
16. F. Fringuelli, G. Marino, A. Taticchi, G. Grandolini, J. Chem. Soc., Perkin Trans. 2 (1974) 332.
17. B. M. Gimarc, J. Am. Chem. Soc. 105 (1983) 1979.
18. D. Bergmann, J. Hinze, Angew. Chem. Int. Ed. Engl. 35 (1996) 150.
19. V. I. Minkin, M.N. Glukhovtsev, B.Ya. Simkin, Aromaticity and Antiaromaticity; Electronic and Structural Aspects, Wiley, New York, 1994.
20. C. W. Bird, Tetrahedron 48 (1992) 335.
21. C. W. Bird, Tetrahedron 43 (1987) 4725.
22. C. W. Bird, Tetrahedron 41 (1985) 1409.
23. P. von Rague Schleyer, results presented at WATOC96.