Sulfur Multicenter Bonding and Distortions in a Hypothetical Polydithioquinone

Chemistry of Materials

Volumn 9, Issue 2, 1997, Pages 573-579

  Velikanov, Mikhail V ^a,b   Genin, Hugh ^a   Hoffmann, Roald ^a  

^a Department of Molecular Biology and Genetics   (United States)

^b UNIVERSITY OF TORONTO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0003458742     PISSN: 08974756     EISSN: None     Source Type: Journal    
DOI: 10.1021/cm960409g     Document Type: Article

References (32)

1. Jenekhe, S. A. Nature 1986, 322, 345.
2. Billingham, N. C.; Calvert, P. D. Adv. Polym. Sci. 1989, 90, 1.
3. Sato, M.; Tanaka, S.; Kaeriyama, K. J. Chem. Soc., Chem. Commun., 1985, 713.
4. Salaneck, W. R.; Bredas, J. L. Synth. Met. 1994, 67, 15-22.
5. Bredas, J. L.; Elsenbaumer, R. L.; Silbey, R. J. Chem. Phys. 1983, 78, 5656.
6. Berlinsky, A. J. In Highly Conducting One-Dimensional Solids; Devreese, J. T., Evrard, R. P., Dorev, van V. E., Eds.; Plenum: New York, 1979; pp 1-13.
7. Garito, A. F.; Heeger, A. J. Acc. Chem. Res. 1974, 7, 232.
8. Mori, Y.; Nakanishi, H.; Hilti, B. J. Appl Phys. 1991, 69, 1475-1478.
9. Trasz, A.; Jeszka, J. K. Synth. Met. 1991, 42, 1831-1834.
10. Takahashi, K.; Tarutani, S. Adv. Mater. 1995, 7, 639-641.
11. Goodings, E. P.; Mitchard, D. A.; Owen, G. J. Chem. Soc., Perkin Trans. 1972, 1310.
12. Wudl, F.; Schafer, D. E.; Muller, B. J. Am. Chem. Soc. 1976, 98, 252.
13. Toussant, J.; Dideberg, O. Bull. Soc. R. Sci. Liege 1967, 36, 666.
14. Issett, L. C.; Perez-Albuerne, E. A. Solid State Commun. 1977, 21, 433.
15. Buravov L. I.; Zvereva, G. I., et al. J. Chem. Soc., Chem. Commun., 1976, 720.
16. Kertesz, M.; Kamarás, K. In Quasi One-Dimensional Conductors; Borisic, S., et al., Eds.; Springer-Verlag: Berlin, 1979; pp 84-87.
17. Kiss, A. I.; Kertesz, M.; Carsky, P.; Wedel, H. Tetrahedron 1979, 35, 515-518.
18. Genin, H.; Hoffmann, R. J. Am. Chem. Soc. 1995, 117, 12328-12335.
19. Gleiter, R.; Hoffmann, R. Tetrahedron 1968, 24, 5899-5911.
20. Lazac'h, N. In Comprehensive Heterocyclic Chemistry; Potts, K. T., Ed.; Pergamon: New York, 1984; Vol. 6, pp 1049-1070.
21. Whangbo, M.-H.; Hoffmann, R.; Woodward, R. B. Proc. R. Soc. London A, 1979, 366, 23-46.
22. Kertesz, M.; Hoffmann, R. Solid State Commun. 1983, 47, 97-102.
23. We assume the following geometry for idealized polythiene: C-C bond length is 1.40 Å, CCC angle = 120°, C-S bond length is 1.70 Å, CCS angle = 120°.
24. Burdett, J. K. Chemical Bonding in Solids; Oxford University: New York, 1995.
25. Hoffmann, R. Solids and Surfaces: A Chemist's View of Bonding in Extended Structures; VCH: New York, 1988.
26. Yannoni, C. S.; Clarke, T. C. Phys.Rev. Lett. 1983, 51, 1191.
27. 4 polymer (13).
28. Cui C.-X-; Kertesz, M. Chem. Phys. Lett. 1990, 169, 445-449.
29. Kollmar, C.; Hoffmann, R. J. Am. Chem. Soc. 1990, 112, 8230-8238.
30. Hoffmann, R. J. Chem. Phys. 1963, 39, 1397-1412.
31. Hoffmann, R.; Lipscomb, W. N. J. Chem. Phys. 1962, 37, 2872.
32. Landrum, G. YAeHMOP - Yet Another extended Hückel Molecular Orbital Package (V. 1.1), Ithaca, New York, 1995.