Theoretical study on photophysical and photochemical properties of a merocyanine dye

Journal of Physical Chemistry A

Volumn 102, Issue 48, 1998, Pages 9739-9744

  Hammam, Essam ^a   El Nahas, Ahmed M ^b  

^a Tanta University   (Egypt)

^b Menoufia University   (Egypt)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001597375     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9804244     Document Type: Article

References (46)

1. Albert, D. I.; Marks, T. J.; Ratner, M. A. J. Phys. Chem. 1996, 100, 9714.
2. (a) Radeglia, R.; Daehne, S. J. Mol. Struct. 1970, 5, 399.
3. (b) Daehne, S.; Hoffman, K. Prog. Phys. Org. Chem. 1990, 18. 1.
4. (c) Daehne, S. Chimica 1991, 45, 288.
5. (d) Brooker, L. G. S.; Keys, G. H.; Sprague, R. H.; Van Dyke, R. H.; Van Zandt, E.; White, F. L. J. Am. Chem. Soc. 1951, 73, 5326.
6. (a) Brooker, L. G. S.; Keyes, G. H.; Heseltine, D. W. J. Am. Chem. Soc. 1951, 73, 5350.
7. (b) Huenig, S.; Rosenthal, O. Justus Liebigs Ann. Chem. 1955, 161, 592.
8. (c) Abdel-Halim, S. T. J. Chem. Soc., Faraday Trans. 1993, 89, 55.
9. Rauhut, G.; Clark, T.; Steinke, T. J. Am. Chem. Soc. 1993, 115, 9174.
10. Botrel, A.; Beuze, A.; Jacques, P.; Strub, H. J. Chem. Soc., Farady Trans. 2 1984, 80, 1235.
11. Jacques, P. J. Phys. Chem. 1986, 90, 5535.
12. (a) Grinwald, A.; Frostig, R. D.; Licke, E.; Hildesheim, R. Phys. Rev. 1985, 8, 263.
13. (b) Loew, L. M.; Scully, S.; Simpson, L.; Waggoner, A. S. Nature (London) 1979, 281, 497.
14. Horie, H.; Hirao, K.; Kenochi, N.; Mita, J. Makromol. Chem. Rapid Commun. 1988, 9, 267.
15. Arden, W.; Fromherz, P. J. Electrochem. Soc. 1980, 127, 372.
16. Inacker, O.; Kuhn, H.; Mobius, D.; Debuch, G. Z. J. Phys. Chem. 1976, 101, 337.
17. Steiner, U.; Abdel-Kader, M. H.; Fischer, P.; Kramer, H. E. A. J. Am. Chem. Soc. 1978, 100, 3190.
18. (a) Abdel-Kader, M.; Steiner, U. J. Chem. Educ. 1983, 60, 160.
19. (b) Vedamuthu, M.; Singh, S.; Onganger, Y.; Essire; D. R.; Yin, M.; Quitevis, E. L.; Robinson, G. W. J. Phys. Chem. 1996, 100, 11907.
20. (c) Orlandi, G.; Palmieri, P.; Poggi, G. J. Am. Chem. Soc. 1979, 101, 3492.
21. (d) Askin, J. S.; Anares, L.; Pedersen, S.; Ewail, V. H. J. Phys. Chem. 1996, 100, 11920.
22. (e) Bartocci, G.; Mazzucato, U.; Masetti, F. J. Phys. Chem. 1980, 84, 847.
23. (f) Bartocci, G.; Masetti, F.; Mazzucato, U.; Spalletti, A.; Baraldi, I.; Momicchioli, F. J. Phys. Chem. 1987, 91, 4733.
24. (g) Mazzucat, U. Gazz. Chim. Ital. 1987, 117, 661.
25. (h) Bartocci, G.; Masetti, F.; Mazzucato, U.; Spalletti, A. J. Chem. Soc., Farady Trans. 2 1988, 84, 385.
26. (i) Schulte-Frohlinde, D.; Guesten, H. Liebigs Ann. Chem. 1971, 49, 749.
27. Baden, H. P.; Pathake, M. A.; Butler, D. Nature 1966, 210, 732.
28. Wald, G. Science 1968, 162, 230.
29. Rauhut, G.; Chandrasekhar, J.; Clark, T. University of Erlangen, Germany, 1992. Vampc 4.55 implemented on PCs by B. Wiedel.
30. Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. J. Am. Chem. Soc. 1985, 107, 3902.
31. Boyd, B.; Smith, D. W.; Stewart, J. J. P.; Wimmer, E. J. Comput. Chem. 1988, 9, 387.
32. (a) Gedeck, P.; Schneider, S. J. Photochem. Photobiol A: Chem. 1997, 105, 165.
33. (b) Miertus, S.; Tomasi, J. Chem. Phys. 1982, 65, 239.
34. (c) Rauhut, G.; Clark, T. J. Comput. Chem. 1993, 14, 503.
35. (a) Nakano, H.; Tsuneda, T.; Hashimoto, T.; Hirao, K. J. Chem. Phys. 1996, 104, 2312.
36. (b) Hashimoto, T., Nakano, H.; Hirao, K. J. Chem. Phys. 1996, 104, 6244.
37. Dewar, M. J. S.; Thiel, W. J. Am. Chem. Soc. 1977, 99, 4899.
38. El-Nahas, A. M.; Hammam, E.; Ebeid, E. J. Comput. Chem. 1998, 19, 585.
39. Marder, S. R.; Beratan, D. N.; Cheng, L.-T. Science 1991, 103, 252.
40. Stull, D. R., Prophet, H., Eds.; JANAF Thermochemical Tables; National Bureau of Standards. National Standard Reference Data Series NSRDS-NBS 37 (U.S. Government Printing Office: Washington, D.C., 1971.
41. Abdel-Halim, S. T.; Awad, M. K. J. Phys. Chem. 1993, 97, 3160.
42. Calculated by using the Conductor-like Screening Model (COSMO) implemented in MOPAC93 with keywords EPS and NSPA set to 78.4 and 60, respectively.
43. (a) Bayliss, N. G.; McRae, E. G. J. Am. Chem. Soc. 1954, 58, 718.
44. (b) Foresman, J. B.; Keith, T. A.; Frisch, M. J.; Murcko, M. J. Phys. Chem. 1996, 100, 16096.
45. Milton, M.; Jaffe, H. H. Symmetry, Orbital, and Spectra (S.O.S.); Wiley: New York, 1971.
46. Schulten, K.; Tavan, P. Nature (London) 1978, 272, 85.