Theoretical analysis of effects of π-conjugating substituents on building blocks for conducting polymers

Journal of Organic Chemistry

Volumn 64, Issue 20, 1999, Pages 7419-7425

  Salzner, Ulrike ^a   Lagowski, J B ^b   Pickup, P G ^b   Poirier, R A ^b  

^a BILKENT UNIVERSITY   (Turkey)

^b MEMORIAL UNIVERSITY OF NEWFOUNDLAND   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CYCLOPENTADIENE DERIVATIVE; FURAN DERIVATIVE; POLYMER; PYRROLE DERIVATIVE; THIOPHENE DERIVATIVE;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CONDUCTANCE; CONJUGATION; CONTROLLED STUDY; GEOMETRY;

EID: 0033214302     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo990725p     Document Type: Article

References (35)

1. André, J.-A.; Delhalle, J.; Brédas, J.-L. Quantum Chemistry Aided Design of Organic Polymers. An Introduction to the Quantum Chemistry of Polymers and its Applications; World Scientific: London, 1991.
2. Skotheim, T. A. Handbook of Conducting Polymers; Marcel Dekker: New York, 1986.
3. Roncali, J. Chem. Rev. 1997, 97, 173-205.
4. Ferraris, J. P.; Lambert, T. L. J. Chem. Soc., Chem. Commun. 1991, 1268.
5. Havinga, E. E.; ten Hoeve, W.; Wynberg, H. Synth. Met. 1993, 55-57, 299-306.
6. Huang, H.; Pickup, P. G. Chem. Mater. 1996, 8, 2212-2216.
7. Lambert, T. L.; Ferraris, J. P. J. Chem. Soc., Chem. Commun 1991, 752-754.
8. Bakhshi, A. K.; Yamaguchi, Y.; Ago, H.; Yamabe, T. Synth. Met. 1996, 79, 115-120.
9. Toussiant, J. M.; Brédas, J. L. Synth. Met. 1995, 69, 637-640.
10. Hong, S. Y.; Song, J. M. J. Chem. Phys. 1997, 107, 10607-10615.
11. Salzner, U.; Kiziltepe, T. J. Org. Chem. 1999, 64, 764-769.
12. Salzner, U. Synth. Met., 1999, 101, 482-483.
13. Becke, A. D. Phys. Rev. A 1988, 38, 3098-3100.
14. Perdew, J. P. Phys. Rev. B 1986, 33, 8822-8824.
15. Stevens, W.; Basch, H.; Krauss, J. J. Chem. Phys. 1984, 81, 6026.
16. Frisch, M. J.; Frisch, Æ.; Foresman, J. B. Gaussian 94 User's Reference; Gaussian, Inc.: Pittsburgh, 1994-1995.
17. Baerends, E. J.; Gritsenko, O. V. J. Phys. Chem. A 1997, 101, 5383-5403.
18. Fritsche, L. Physica B 1981, 172, 7-17.
19. Godby, R. W.; Schlüter, M.; Sham, L. J. Phys. Rev. B 1988, 37, 10159-10175.
20. Levy, M. Phys. Rev. A 1995, 52, 50-52.
21. Perdew, J. P.; Levy, M. Phys. Rev. Lett. 1983, 51, 1884.
22. Williams, A. R.; von Barth, U. In Theory of the Inhomogeneous Electron Gas; Lundqvist, S., March, N. H., Eds.; Plenum Press: London, 1983.
23. Rösch, N.; Trickey, S. B. J. Chem. Phys. 1997, 106, 8940-8941.
24. Chan, G. E.-L.; Tozer, D. J.; Handy, N. C. J. Chem. Phys. 1997, 107, 1536.
25. Galbraith, J. M.; Schaefer, H. F. III. J. Chem. Phys. 1996, 105, 862-863.
26. Savin, A.; Umrigar, C. J.; Gonze, X. Chem. Phys. Lett. 1998, 288, 391-395.
27. Salzner, U.; Lagowski, J. B.; Pickup, P. G.; Poirier, R. A. J. Comput. Chem. 1997, 18, 1943-1953.
28. Salzner, U.; Lagowski, J. B.; Pickup, P. G.; Poirier, R. A. J. Phys. Chem. A 1998, 102, 2572-2578.
29. Salzner, U.; Lagowski, J. B.; Pickup, P. G.; Poirier, R. A. Synth. Met. 1998, 96, 177-189.
30. Reed, A. E.; Weinstock, R. B.; Weinhold, F. J. Chem. Phys. 1985, 83, 735.
31. Reed, A. E.; Weinhold, F. J. Chem. Phys. 1985, 83, 1736.
32. Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899.
33. Gaussian 94: Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian, Inc., Pittsburgh, PA, 1995.
34. Huang, H.; Pickup, P. G. Acta Polym. 1997, 48, 455-457.
35. Christen, H. R. Grundlagen der allgemeinen und angewandten Chemie; Otto Salle Verlag: Frankfurt, 1980.