Theoretical study of one-photon and two-photon absorption properties of perylene tetracarboxylic derivatives

Journal of Chemical Physics

Volumn 129, Issue 1, 2008, Pages

  Zhao, Yang ^a   Ren, Ai Min ^a   Feng, Ji Kang ^a   Sun, Chia Chung ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; LABELING; LIGHT ABSORPTION; LUMINESCENCE OF ORGANIC SOLIDS; MULTIPHOTON PROCESSES; NAPHTHALENE; OPTICAL MATERIALS; ORGANIC POLYMERS; PHOTOACOUSTIC EFFECT; PHOTONS; PROBABILITY DENSITY FUNCTION; ROCKETS;

(PL) PROPERTIES; AMERICAN INSTITUTE OF PHYSICS (AIP); CONJUGATED LENGTH; CROSS SECTIONING; DENSITY-FUNCTIONAL THEORY (DFT); GEOMETRICAL STRUCTURES; IN-VIVO; INDUCTIVE EFFECTS; INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP (INDO); LONG AXIS; MOLECULAR AXIS; NEAR INFRA RED (NIR) REGION; ONE-PHOTON ABSORPTION (OPA); ORBITAL (CO); PERYLENE TETRACARBOXYLIC; STRENGTH (IGC: D5/D6); TWO-PHOTON-ABSORPTION (TPA);

DENSITY FUNCTIONAL THEORY;

DRUG DERIVATIVE; PERYLENE;

ABSORPTION; ARTICLE; CHEMISTRY; ELECTRON; PHOTON; QUANTUM THEORY;

ABSORPTION; ELECTRONS; PERYLENE; PHOTONS; QUANTUM THEORY;

EID: 46849120413     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2938374     Document Type: Article

References (39)

1. D. R. M. Kanis, A. Ratner, and T. J. Marks, Chem. Rev. (Washington, D.C.) 94, 195 (1994).
2. L. D. Boni, A. A. Andrade, D. S. Corr̂a, D. T. Balogh, S. C. Zilio, L. Misoguti, and C. R. Mendonca, J. Phys. Chem. B 108, 5221 (2004).
3. A. Margineanu, J. Hofkens, M. Cotlet, J. Phys. Chem. B 108, 12242 (2004).
4. A. S. Dvornikov and P. M. Rentzepis, Opt. Commun. 119, 341 (1995).
5. B. H. Cumpston, S. P. Ananthavel, S. Barlow, Nature (London) 398, 51 (1999).
6. W. Denk and K. Svoboda, Neuron 18, 351 (1997).
7. C. Allain, F. Schmidt, R. Lartia, G. Bordeau, C. Fiorini-Debuisschert, F. Charra, P. Tauc, and M.-P. Teulade-Fichou, ChemBioChem 8, 424 (2007).
8. P. A. Fleitz, M. C. Brant, R. L. Sutherland, F. P. Strohkendl, J. R. Larson, and L. R. Dalton, Proc. SPIE 91, 3472 (1998).
9. J. E. Ehrlich, X. L. Wu, I.-Y. S. Lee, Z-Y. Hu, H. Roeckel, S. R. Marder, and J. W. Perry, Opt. Lett. 22, 1843 (1997).
10. J. D. Bhawalkar, N. D. Kumar, C. F. Zhao, and P. N. Prasad, J. Clin. Laser Med. Surg. 37, 510 (1997).
11. E. Johnson, R. Aroca, and Y. Nagao, J. Phys. Chem. 95, 8840 (1991).
12. H. Langhals, Chem. Phys. Lett. 150, 321 (1988).
13. B. G. Horowitz, F. Kouki, P. Spearman, D. Fichou, C. Nogues, X. Pan, and F. Garnier, Adv. Mater. (Weinheim, Ger.) 8, 242 (1996).
14. D. Schlettwein, A. Back, B. Schilling, T. Fritz, and N. R. Armstrong, Chem. Mater. 10, 601 (1998).
15. J. Irvi, Z. Burshtein, E. Miron, R. Resfeld, and M. Eyal, IEEE J. Quantum Electron. 26, 1516 (1990).
16. H. G. Lohmannsroben and H. Langhals, Appl. Phys. B: Photophys. Laser Chem. 48, 449 (1989).
17. S. R. Forrest, Chem. Rev. (Washington, D.C.) 97, 1793 (1997).
18. H. E. J. Katz, J. Mater. Chem. 7, 369 (1997).
19. D. A. Tenne, S. Park, T. U. Kampen, A. Das, R. Scholz, and D. R. T. Zahn, Phys. Rev. B 61, 14564 (2000).
20. S. Kera, H. Setoyama, M. Onoue, K. K. Okudaira, Y. Harada, and N. Ueno, Phys. Rev. B 63, 115204 (2001).
21. N. U. Zhanpeisov, S. Nishio, and H. Fukumura, Int. J. Quantum Chem. 105, 369 (2005).
22. L. D. Boni, C. J. L. Constantino, L. Misoguti, R. F. Aroca, S. C. Zilio, and C. R. Mendonca, Chem. Phys. Lett. 371, 744 (2003).
23. S. L. Oliveira, D. S. Correa, L. Misoguti, C. J. L. Constantino, R. F. Aroca, S. C. Zilio, and C. R. Mendonca, Adv. Mater. (Weinheim, Ger.) 17, 1890 (2005).
24. D. S. Corr̂a, S. L. Oliveira, L. Misoguti, S. C. Zilio, R. F. Aroca, Carlos J. L. Constantino, and C. R. Mendonca, J. Phys. Chem. A 110, 6433 (2006).
25. H. Langhals, J. Karolin, and L. B.-Å. Johansson, J. Chem. Soc., Faraday Trans. 94, 2919 (1998).
26. M. Cha, W. E. Torruellas, G. I. Stegeman, W. H. G. Horsthuis, G. R. Möhlmann, and J. Meth, Appl. Phys. Lett. 65, 2648 (1994).
27. T. Kogej, D. Beljonne, F. Meyers, J. W. Perry, S. R. Marder, and J. L. Bŕdas, Chem. Phys. Lett. 298, 1 (1998).
28. B. J. Orr and J. F. Ward, Mol. Phys. 20, 513 (1971).
29. D. M. Bishop, J. M. Luis, and B. Kirtman, J. Chem. Phys. 116, 9729 (2002).
30. D. Beljonne, W. Wenseleers, E. Zojer, Z. Shuai, H. Vogel, S. J. K. Pond, J. W. Perry, S. R. Marder, and J. L. Bŕdas, Adv. Funct. Mater. 12, 631 (2002).
31. M. Albota, D. Beljonne, J. L. Bŕdas, J. E. Ehrlich, J. Y. Fu, A. A. Heikal, S. E. Hess, T. Kogej, M. D. Levin, S. R. Marder, D. McCord-Maughor, J. W. Perry, H. Rockel, M. Rumi, G. Subramaniam, W. W. Webb, X. L. Wu, and C. Xu, Science 281, 1653 (1998).
32. R. P. scar, Y. Luo, and H. Ågren, J. Chem. Phys. 124, 094310 (2006).
33. W. Ma, Y. Q. Wu, D. H. Gu, and F. X. Gan, J. Mol. Struct.: THEOCHEM 772, 81 (2006).
34. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 2003, revision C. 02, Gaussian, Inc., Pittsburgh, PA, 2003.
35. A. D. Becke, J. Chem. Phys. 98, 1372 (1993).
36. M. M. Francl, W. J. Pietro, W. J. Hehre, J. S. Binkley, M. S. Gordon, D. J. Defrees, and J. A. Pople, J. Chem. Phys. 77, 3654 (1982).
37. J. Ridley and M. C. Zerner, Theor. Chim. Acta 32, 111 (1973).
38. J. Tomasi and M. Persico, Chem. Rev. (Washington, D.C.) 94, 202 (1994); C. S. Cramer, D. G. Truhlar, in Solvent Effects and Chemical Reactivity, edited by, O. Tapia, and, J. Bertan, (Kluwer, Dordrecht, 1996), p. 1.
39. S. Miertus, E. Scrocco, and J. Tomasi, J. Chem. Phys. 0021-9606 10.1016/0301-0104(81)85090-2 55, 117 (1981); S. Miertus and J. Tomasi, Chem. Phys. 0301-0104 10.1016/0301-0104(82)85072-6 65, 239 (1982); M. Cossi, V. Barone, R. Cammi, and J. Tomasi, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(96)00349-1 255, 327 (1996); M. T. Cances, B. Mennucci, and J. Tomasi, J. Chem. Phys. 0021-9606 10.1063/1.474659 107, 3032 (1997); V. Barone, M. Cossi, and J. Tomasi, J. Comput. Chem. 0192-8651 10.1002/(SICI)1096- 987X(199803)19:4<404::AID-JCC3>3.0.CO;2-W 19, 404 (1998); M. Cossi, G. Scalmani, N. Rega, and V. Barone, J. Chem. Phys. 117, 43 (2002).