Charge separation in organic semiconductor composites. 2. Study of the ground state and low-lying excited states involved

Journal of Physical Chemistry B

Volumn 102, Issue 23, 1998, Pages 4466-4476

  Rodriguez Monge, L ^a,b  

^a UNIVERSITY OF MONS   (Belgium)

^b EUROPEAN BIOINFORMATICS INSTITUTE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; CHARGE TRANSFER; COMPOSITE MATERIALS; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; EMISSION SPECTROSCOPY; MATHEMATICAL MODELS; MOLECULES; OPTOELECTRONIC DEVICES; QUANTUM THEORY; SEMICONDUCTING POLYMERS;

CHARGE SEPARATION; PERYLENE; POLYPHENYLENEVINYLENE; QUANTUM CHEMISTRY;

SEMICONDUCTING ORGANIC COMPOUNDS;

EID: 0032482277     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972889k     Document Type: Article

References (48)

1. See, for example: (a) Tang, C. W. Appl. Phys. Lett. 1986, 48, 183. (b) Horowitz, G.; Fouki, F.; Spearman, P.; Fichon, D.; Nogues, C.; Pan, X. Garnier, F. Adv. Mater. 1996, 8 (3), 242. (c) Steren, C. A. van Willigen, H.; Biczók, L.; Gupta, N.; Linschitz, H. J. Phys. Chem. 1996, 100, 8920. (d) Saricifti, N. S.; Smilovitz, L.; Heeger, A. J. Science 1992, 258, 1474.
2. See, for example: (a) Tang, C. W. Appl. Phys. Lett. 1986, 48, 183. (b) Horowitz, G.; Fouki, F.; Spearman, P.; Fichon, D.; Nogues, C.; Pan, X. Garnier, F. Adv. Mater. 1996, 8 (3), 242. (c) Steren, C. A. van Willigen, H.; Biczók, L.; Gupta, N.; Linschitz, H. J. Phys. Chem. 1996, 100, 8920. (d) Saricifti, N. S.; Smilovitz, L.; Heeger, A. J. Science 1992, 258, 1474.
3. See, for example: (a) Tang, C. W. Appl. Phys. Lett. 1986, 48, 183. (b) Horowitz, G.; Fouki, F.; Spearman, P.; Fichon, D.; Nogues, C.; Pan, X. Garnier, F. Adv. Mater. 1996, 8 (3), 242. (c) Steren, C. A. van Willigen, H.; Biczók, L.; Gupta, N.; Linschitz, H. J. Phys. Chem. 1996, 100, 8920. (d) Saricifti, N. S.; Smilovitz, L.; Heeger, A. J. Science 1992, 258, 1474.
4. See, for example: (a) Tang, C. W. Appl. Phys. Lett. 1986, 48, 183. (b) Horowitz, G.; Fouki, F.; Spearman, P.; Fichon, D.; Nogues, C.; Pan, X. Garnier, F. Adv. Mater. 1996, 8 (3), 242. (c) Steren, C. A. van Willigen, H.; Biczók, L.; Gupta, N.; Linschitz, H. J. Phys. Chem. 1996, 100, 8920. (d) Saricifti, N. S.; Smilovitz, L.; Heeger, A. J. Science 1992, 258, 1474.
5. Yu, G. Synth. Met. 1996, 80, 143-150.
6. See, for example: Law, K.-Y. Chem. Rev. 1993, 93, 449.
7. Gregg, B. A. J. Phys. Chem. 1996, 100, 852.
8. Halls, J. J. M.; Friend, R. H. Synth. Met. 1997, 85, 1307.
9. (a) Marcus, R. A. Ann. Rev. Phys. Chem. 1964, 15, 155.
10. (b) Markus, R. A. J. Phys. Chem. 1956, 24, 966.
11. (c) Levich, V. G. Adv. Electrochem. Eng. 1965, 4249.
12. (d) Hush, N. S. Trans. Faraday Soc. 1961, 57, 557.
13. (e) Hush, N. S. Electrochim. Acta 1965, 13, 1005.
14. (f) Gloss, G. L.; Miller, J. R. Science 1988, 240, 440.
15. (g) Wasielewski, M. R. Chem. Rev. 1992, 92, 435.
16. (h) Conolly J.; Bolton, J. R. Photoinduced Electron Transfer; Fox, M. A., Chanon, M., Eds.; Elsevier: Amsterdam, 1988; Part D.
17. (i) Liang, C.; Netwon, M. D. J. Phys. Chem. 1992, 96, 2855.
18. Larsson, S. Int. J. Quantum Chem. 1986, 30, 31.
19. Rodriguez-Monge, L.; Larsson, S. J. Chem. Phys. 1995, 102, 7106.
20. Baigent, D. R.; Holmes, A. B.; Moratti, S. C.; Friend, R. H. Synth. Met. 1996, 80, 119.
21. Greenham, N. C.; Samuel, I. D. W.; Hayes, G. R.; Philips, R. T.; Kessever, Y. A. R. R.; Moratti, S. C.; Holmes, A. B.; Friend, R. H. Chem. Phys. Lett. 1995, 241, 89.
22. Ashwell, G. J.; Jefferies, G.; Hamilton, D. G.; Lynch, D. E.; Roberts, M. P. S.; Bahra, G. S.; Brown, C. R. Nature 1995, 375, 385.
23. Park, J. Y.; Le, H. M.; Kim, G. T.; Park, H.; Park, Y. W.; Kang, I. N.; Hwang, D. H.; Shim, H. K. Synth. Met. 1996, 79, 177.
24. Janssen, R. A. J.; Sariciftci, N. S.; Heeger, A. J. J. Chem. Phys. 1994, 100 (12), 8641.
25. (a) Jiang, Y.; Blanchard, G. J. J. Phys. Chem. 1994, 98 (38), 9419.
26. (b) Jiang, Y.; Blanchard, G. J. J. Phys. Chem. 1994, 98 (26), 6437.
27. (c) Joblin, C.; Salama, F.; Allamandola, L. J. Chem. Phys. 1995, 102 (24), 9743.
28. Rodriguez-Monge, L.; Brédas, J.-L. To be submitted.
29. Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Steward, J. J. P. J. Am. Chem. Soc. 1985, 107, 3902.
30. Mao, G.; Fisher, J. E.; Karasz, F. E.; Winokur, M. J. J. Chem. Phys. 1993, 98, 712.
31. Ridley, J.; Zerner, M. C. Theor. Chim. Acta 1973, 32, 111.
32. Mataga, N.; Nishimoto, K. Z. Phys. Chem. 1957, 13, 140.
33. Hehre, W. J.; Steward, R. F.; Pople, J. A. J. Chem. Phys. 1969, 51, 2657.
34. (a) Khon, W.; Sham, L. J. Phys. Rev. 1965, 140, A1133.
35. (b) Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
36. Binkley, J. S.; Pople, J. A.; Heher, W. J. J. Am. Chem. Soc. 1980, 102, 939.
37. Ditchfield, R.; Hehre, W. J.; Pople, J. A. J. Chem. Phys. 1971, 56, 724.
38. Cornil, J.; Beljonne, D.; Shuai, Z.; Hagler, T. W.; Campbell, I.; Bradley, D. D. C.; Brédas, J.-L.; Spangler, C. W.; Mülen, K. Chem. Phys. Lett. 1995, 247, 425.
39. Bhattacharyya, K.; Chowdhury, M. Chem. Rev. 1993, 93, 507.
40. Bradley, D. D. C. Synth. Met. 1993, 54, 401.
41. (a) Tang, C. W.; VanSlyke, S. A. Appl. Phys. Lett. 1987, 51, 913.
42. (b) Tang, C. W.; VanSlyke, S. A.; Chen, C. H. J. Appl. Phys. 1989, 65, 3610.
43. Weaver, M. S.; Bradley, D. D. C. Synth. Met. 1996, 83, 61.
44. Bradley, D. D. C. J. Phys. D: Appl. Phys. 1987, 20, 1389.
45. Lhost, O.; Bredas, J. L. J. Chem. Phys. 1992, 96 (7), 5279.
46. Rodriguez-Monge, L.; Larsson, S. J. Phys. Chem. 1996, 100 (15), 6298. Rodriguez-Monge, L.; Larsson, S. J. Chem. Phys. 1996, 105 (17), 7857. Rodriguez-Monge, L.; Larsson, S. Int. J. Quant. Chem. 1997, 61, 847.
47. Rodriguez-Monge, L.; Larsson, S. J. Phys. Chem. 1996, 100 (15), 6298. Rodriguez-Monge, L.; Larsson, S. J. Chem. Phys. 1996, 105 (17), 7857. Rodriguez-Monge, L.; Larsson, S. Int. J. Quant. Chem. 1997, 61, 847.
48. Rodriguez-Monge, L.; Larsson, S. J. Phys. Chem. 1996, 100 (15), 6298. Rodriguez-Monge, L.; Larsson, S. J. Chem. Phys. 1996, 105 (17), 7857. Rodriguez-Monge, L.; Larsson, S. Int. J. Quant. Chem. 1997, 61, 847.