A first principles calculations and experimental study of the ground- and excited-state properties of ladder oligo (p -aniline)s

Journal of Chemical Physics

Volumn 122, Issue 10, 2005, Pages

  Bellet̂te, Michel ^a   Durocher, Gilles ^a   Hamel, Śbastien ^a   Côt́, Michel ^a   Wakim, Salem ^b   Leclerc, Mario ^b  

^a UNIVERSITÉ DE MONTRÉAL   (Canada)

^b UNIVERSITÉ LAVAL   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ALKYL CHAINS; CONJUGATION; EXCITED-STATE PROPERTIES; HARTREE FOCK (HF);

ELECTRONS; GEOMETRY; GROUND STATE; MOLECULAR STRUCTURE; OLIGOMERS; PROBABILITY DENSITY FUNCTION;

AROMATIC COMPOUNDS;

EID: 17444416446     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1857477     Document Type: Article

References (51)

1. H. A. Ho, H. Brisset, E. H. Elandaloussi, P. Frere, and J. Roncali, Adv. Mater. (Weinheim, Ger.) 8, 990 (1996).
2. G. Barbarella, L. Favaretto, G. Sotgiu, J. Am. Chem. Soc. 122, 11971 (2000).
3. R. G. Hicks and M. B. Nodwell, J. Am. Chem. Soc. 122, 6746 (2000).
4. T. Noda, H. Ogawa, N. Noma, and Y. Shirota, J. Mater. Chem. 9, 2177 (1999).
5. S. B. Heidenhain, Y. Sakamoto, T. Suzuki, A. Miura, H. Fijikawa, T. Mori, S. Tokito, and Y. Taga, J. Am. Chem. Soc. 122, 10240 (2000).
6. U. Mitschke and P. Bauerle, J. Mater. Chem. 10, 1471 (2000).
7. M. Bellet̂te, S. Beaupŕ, J. Bouchard, P. Blondin, M. Leclerc, and G. Durocher, J. Phys. Chem. B 104, 9118 (2000).
8. M. Leclerc, J. Polym. Sci., Part A: Polym. Chem. 39, 2867 (2001).
9. L. Schmidt-Mende, A. Fechtenkötter, K. Müllen, E. Moons, R. H. Friend, and J. D. Mackenzie, Science 293, 1119 (2001).
10. P. Blanchard, J. M. Raimundo, and J. Roncali, Synth. Met. 119, 527 (2001).
11. G. Horowitz, Adv. Mater. (Weinheim, Ger.) 10, 365 (1998).
12. H. E. Katz, A. J. Lovinger, J. Johnson, C. Kloc, T. Siegrist, W. Li, Y. Y. Lin, and A. Dodabalapur, Nature (London) 404, 478 (2000).
13. Z. Bao, J. A. Rogers, and H. E. Katz, J. Mater. Chem. 9, 1895 (1999).
14. X. C. Li, H. Sirringhaus, F. Garnier, J. Am. Chem. Soc. 120, 2206 (1998).
15. H. Meng, Z. Bao, A. J. Lovinger, B. Wang, and A. M. Mujsce, J. Am. Chem. Soc. 123, 9214 (2001).
16. H. Meng, J. Zheng, A. J. Lovinger, B. C. Wang, P. G. V. Patten, and Z. Bao, Chem. Mater. 15, 1778 (2003).
17. C. Videlot, J. Ackermann, P. Blanchard, Adv. Mater. (Weinheim, Ger.) 15, 306 (2003).
18. C. D. Dimitrakopoulos, B. K. Furman, F. Graham, S. Hedge, and S. Purushothaman, Synth. Met. 92, 47 (1998).
19. G. Horowitz, F. Garnier, A. Yassar, R. Hajlaoui, and F. Kouki, Adv. Mater. (Weinheim, Ger.) 8, 52 (1996).
20. Z. Bao, A. Dodabalapur, and A. J. Lovinger, Appl. Phys. Lett. 69, 4108 (1996).
21. H. Sirringhaus, N. Tessler, and R. H. Friend, Science 280, 1741 (1998).
22. Y. Y. Lin, D. J. Gundlach, S. F. Nelson, and T. N. Jackson, IEEE Electron Device Lett. 18, 606 (1997).
23. K. Ito, T. Suzuki, Y. Sakamoto, D. Kubota, Y. Inoue, F. Sato, and S. Tokito, Angew. Chem., Int. Ed. 42, 1159 (2003).
24. H. E. Katz, Z. Bao, and S. L. Gilat, Acc. Chem. Res. 34, 359 (2001).
25. P. T. Herwing and K. Müllen, Adv. Mater. (Weinheim, Ger.) 11, 480 (1999).
26. J. Bouchard, S. Wakim, and M. Leclerc, J. Org. Chem. 0022-3263 10.1021/jo049419o 69, 5705 (2004); S. Wakim, J. Bouchard, N. Blouin, A. Michaud, and M. Leclerc, Org. Lett. 6, 3413 (2004).
27. J. Bouchard, S. Wakim, and M. Leclerc, J. Org. Chem. 0022-3263 10.1021/jo049419o 69, 5705 (2004); S. Wakim, J. Bouchard, N. Blouin, A. Michaud, and M. Leclerc, Org. Lett. 6, 3413 (2004).
28. S. Wakim, J. Bouchard, M. Simard, N. Drolet, Y. Tao, and M. Leclerc, Chem. Mater. 16, 4386 (2004).
29. N. DiĆsare, M. Bellet̂te, M. Leclerc, and G. Durocher, J. Phys. Chem. 103, 803 (1999).
30. N. DiĆsare, M. Bellet̂te, E. Rivera Garcia, M. Leclerc, and G. Durocher, J. Phys. Chem. 103, 3864 (1999).
31. M. Bellet̂te, S. Beaupŕ, J. Bouchard, P. Blondin, M. Leclerc, and G. Durocher, J. Phys. Chem. B 104, 9118 (2000).
32. M. Bellet̂te, J.-F. Morin, S. Beaupŕ, M. Ranger, M. Leclerc, and G. Durocher, Macromolecules 34, 2288 (2001).
33. M. Bellet̂te, J.-F. Morin, S. Beaupŕ, M. Leclerc, and G. Durocher, Synth. Met. 126, 43 (2002).
34. S. Tirapattur, M. Bellet̂te, M. Leclerc, and G. Durocher, J. Mol. Struct.: THEOCHEM 625, 141 (2003).
35. M. Bellet̂te, M. B́dard, M. Leclerc, and G. Durocher, J. Mol. Struct.: THEOCHEM 679, 9 (2004).
36. M. Bellet̂te, M. B́dard, M. Leclerc, and G. Durocher, Synth. Met. 146, 99 (2004).
37. M. Bellet̂te, M. B́dard, J. Bouchard, M. Leclerc, and G. Durocher, Can. J. Chem. 82, 1280 (2004).
38. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
39. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
40. S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58, 1200 (1980).
41. X. Gonze, J.-M. Beuken, R. Caracas, Comput. Mater. Sci. 25, 478 (2002).
42. N. Trouiller and J. L. Martins, Phys. Rev. B 43, 1993 (1991).
43. M. E. Casida, in Recent Advances in Density Functional Methods, Part I, edited by, D. P. Chong, (World Scientific, Singapore, 1995), p. 155; E. Gross, J. Dobson, and M. Petersilka, Top. Curr. Chem. 181, 81 (1996).
44. M. E. Casida, in Recent Advances in Density Functional Methods, Part I, edited by, D. P. Chong, (World Scientific, Singapore, 1995), p. 155; E. Gross, J. Dobson, and M. Petersilka, Top. Curr. Chem. 181, 81 (1996).
45. J.-F. Brìre and M. Côt́, J. Phys. Chem. B 108, 3123 (2004).
46. M. J. Frisch, G. W. Trucks, H. B. Schlegel, Gaussian, Inc., Pittsburgh PA, 2003.
47. J. Ridley and M. C. Zerner, Theor. Chim. Acta 32, 111 (1973).
48. C. Forber and M. C. Zerner, J. Am. Chem. Soc. 107, 5884 (1985).
49. X. Zhang, J. D. Pitts, R. Nadarajah, and J. L. Knee, J. Chem. Phys. 107, 8239 (1997).
50. S. M. Zain, R. Hashim, A. G. Taylor, and D. Phillips, J. Mol. Struct.: THEOCHEM 401, 287 (1997).
51. N. DiĆsare, M. Bellet̂te, M. Leclerc, and G. Durocher, J. Mol. Struct.: THEOCHEM 467, 259 (1999).