Zigzag cyclopolyacenes: A theoretical study

Journal of Molecular Structure: THEOCHEM

Volumn 491, Issue 1-3, 1999, Pages 275-280

  Turker L ^a  

^a MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

Author keywords

AM1 geometry optimized structures; Interfrontier energy gap; Zigzag type cyclopolyacenes

Indexed keywords

POLYCYCLIC HYDROCARBON;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL STRUCTURE; MOLECULAR STABILITY; SPECTRAL SENSITIVITY;

EID: 17744419928     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00128-1     Document Type: Article

References (37)

1. P.R. Ashton, N.S. Isaacs, F.H. Kohnke, A.M.Z. Slawin, C.M. Spencer, J.F. Stoddart, D.J. Williams, Angew. Chem. Int. Ed. Engl. 27 (1988) 966.
2. P.R. Ashton, G.R. Brown, N.S. Isaacs, D. Griffida, F.H. Kohnke, J.P. Mathias, A.M.Z. Slawin, D.R. Smith, J.F. Stoddart, D.J. Williams, J. Am. Chem. Soc. 114 (1992) 6330.
3. P.R. Ashton, U. Girreser, D. Griffida, F.H. Kohnke, J.P. Mathias, F.M. Raymo, A.M.Z. Slawin, J.F. Stoddart, D.J. Williams, J. Am. Chem. Soc. 115 (1993) 5422.
4. S. Iijima, Nature (London) 354 (1991) 56.
5. T.W. Ebbesen, P.M. Ajayan, Nature (London) 358 (1992) 220.
6. T.W. Ebbesen, H. Hiura, J. Fujita, Y. Ochiai, S. Matsui, K. Tanigaki, Chem. Phys. Lett. 209 (1993) 83.
7. M.S. Dresselhaus, G. Dresselhaus, P.C. Eklund, Science of Fullerenes and Carbon Nanotubes, 1996, Academic Press, New York.
8. J. Aihara, Bull. Chem. Soc. Jpn. 48 (1975) 3637.
9. H. Hosoya, M. Aida, R. Kumagai, K. Watanabe, J. Comput. Chem. 8 (1987) 358.
10. K. Tanaka, K. Ohzeki, S. Nankai, T. Yamabe, J. Phys. Chem. Solids 44 (1983) 1069.
11. S. Kivelson, O.L. Chapman, Phys. Rev. B 28 (1983) 7236.
12. I. Gutman, Match 8 (1980) 291.
13. M.A. Haase, R.W. Zoellner, J. Org. Chem. 57 (1992) 1031.
14. J. Aihara, J. Chem. Soc. Perkin Trans. 2 (1994) 971.
15. J. Aihara, J. Chem. Soc. Faraday Trans. 91 (2) (1995) 237.
16. L. Türker, Polycyclic Aromatic Compounds 4 (1994) 191.
17. L. Türker, Polycyclic Aromatic Compounds 8 (1996) 67.
18. L. Türker, Polycyclic Aromatic Compounds 4 (1995) 231.
19. L. Türker, Polycyclic Aromatic Compounds 8 (1996) 203.
20. L. Türker, Polycyclic Aromatic Compounds 8 (1996) 207.
21. L. Türker, J. Mol. Struct. 407 (1997) 217.
22. L. Türker, N. Çelebi, Bull. Soc. Chim. Belg. 106 (4) (1997) 201.
23. L. Türker, Polycyclic Aromatic Compounds 12 (1997) 139.
24. L. Türker, Polycyclic Aromatic Compounds 12 (1997) 213.
25. L. Türker, Indian J. Chem. 37B (1998) 230.
26. I. Gutman, P.U. Biederman, V.I. Petrović, I. Agranat, Polycyclic Aromatic Compounds 8 (1996) 189.
27. J. Aihara, Sci. Am. 266 (3) (1992) 62.
28. M.J.S. Dewar, E.G. Zoebisch, E.F. Healy, J.J.P. Stewart, J. Am. Chem. Soc. 107 (1985) 3902.
29. J.E. Ridley, M.C. Zerner, Theor. Chim. Acta 42 (1976) 223.
30. A.D. Bacon, M.C. Zerner, Theor. Chim. Acta 53 (1979) 21.
31. J. Del Bene, H.H. Jaffe, J. Chem. Phys. 48 (1968) 1807-4050.
32. A.W. Hanson, M. Röhrl, Acta Crystallogr. B2 (1972) 2287.
33. L. Türker, Polycyclic Aromatic Compounds 13 (1999) 25.
34. Hyperchem reference, Molecular Visualization and Simulation, Hypercube Inc., Waterloo, Ontario, 1994, p. 246.
35. E. Clar, Aromatic Compounds, Wiley, London, 1972.
36. M.J.S. Dewar, R.C. Dougherty, PMO Theory of Organic Chemistry, Plenum-Rosetta, New York, 1975.
37. I. Fleming, Frontier Molecular Orbitals and Organic Chemical Reactions, Wiley, London, 1976.