Excited state properties of neutral, anionic and cationic 1,1-disubstituted 2,3,4,5-tetraphenylsiloles: A quantum chemical characterization

Journal of Molecular Structure: THEOCHEM

Volumn 770, Issue 1-3, 2006, Pages 51-56

  Sun, Yu ^a   Li, Yuanzuo ^a   Li, Yongqing ^a   Chen, Yuehui ^a   Ma, Fengcai ^a  

^a LIAONING UNIVERSITY   (China)

Author keywords

Anionic; Excited state; Photoluminescence

Indexed keywords

EID: 33748613482     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.05.006     Document Type: Article

References (46)

1. Chiang C.K., Fincher C.R., Park Y.W., Heeger A.J., Shirakawa H., Louis E.J., Gau S.C., and MacDiarmid A.G. Phys. Rev. Lett. 39 (1977) 1098
2. Burroughes J.H., Bradley D.D.C., Brown A.R., Marks R.N., Mackay K., Friend R.H., Burns P.L., and Holems A.B. Nature 347 (1990) 539
3. Friend R.H., Gymer R.W., Holmes A.B., Burroughes J.H., Marks R.N., Taliani C., Bradley D.D.C., Dos Santos D.A., Brédas J.L., Lögdlund M., and Salaneck W.R. Dos Santos. Nature 397 (1999) 121
4. Brabec C.J., Sariciftci N.S., and Hummelen J.C. Adv. Funct. Mater. 11 (2001) 15
5. Wang D.L., Gong X., Heeger P.S., Rininsland F., Bazan G.C., and Heeger A.J. Proc. Natl Acad. Sci. USA 99 (2002) 49
6. Newman C.R., Frisbie C.D., da Silva Filho D.A., Brédas J.L., Ewbank P.C., and Mann K.R. Chem. Mater. 16 (2004) 4436
7. Sirringhaus H., Kawase T., Friend R.H., Shimoda T., Inbasekaran M., Wu W., and Woo E.P. Science 290 (2000) 2123
8. Baldo M.A., Thompson M.E., and Forrest S.R. Nature 403 (2000) 750
9. Yamaguchi S., Xu C.H., and Tamao K. Tamao. J. Am. Chem. Soc. 125 (2003) 13662
10. Lee J., Liu Q.D., Motala M., Dane J., Gao J., Kang Y., and Wang S.N. Chem. Mater. 16 (2004) 1869
11. Yu G., Yin S., Liu Y.Q., Chen J.S., Xu X., Sun X.B., Ma D.G., Zhan X.W., Peng Q., Shuai Z.G., Tang B.Z., Zhu D.B., Fang W.H., and Luo Y. Am. Chem. Soc. 127 (2005) 6335
12. Liu M.S., Lou J.D., and Jen A.K.-Y. Chem. Mater. 15 (2003) 3496
13. Yamaguchi S., Jin R.Z., Itami Y., Goto T., and Tamao K. J. Am.Chem. Soc. 121 (1999) 10420
14. Lou, J.; Xie, Z.; Lam, J.W. Y.; Cheng, L.; Chen, H.; Qiu, C.; Kwok, H. S.; Zhan, X. W.; Liu, Y. Q.; Zhu, D. B.; Tang, B.Z. Chem. Commun., 2001, 1740.
15. Chen J.W., Law C.C.W., Lam J.W.Y., Dong Y.P., Lo S.M.F., Williams I.D., Zhu D.B., and Tang B.Z. Chem. Mater. 15 (2003) 1535
16. Chen J.W., Xie Z.L., Lam J.W.Y., Law C.C.W., Zhu D.B., and Tang B.Z. Macromolecules 36 (2003) 1108
17. Chen J.W., Peng H., Law C.C.W., Dong Y.P., Lam J.W.Y., Williams I.D., and Tang B.Z. Macromolecules 36 (2003) 4319
18. Brédas J.L., Beljonne D., Coropceanu V., and Cornil. J. Chem. Rev. 104 (2004) 4971
19. Sun M.T., Kjellberg P., Ma F.C., and Pullerits T. Chem. Phys. Lett. 401 (2005) 558
20. Persson N.K., Sun M.T., Kellberg P., Pullerits T., and Inganäs O. J. Chem. Phys. 123 (2005) 204718
21. Sun M.T. J. Chem. Phys. 124 (2006) 054903
22. Sun M.T. Chem. Phys. Lett. 408 (2005) 128
23. Sun M.T., Li Y.Z., and Ma F.C. Chem. Phys. Lett. 412 (2005) 425
24. Mukamel S., Tretiak S., Wagersreiter T., and Chernyak V. Science 277 (1997) 781
25. Tretiak S., and Mukamel S. Chem. Rev. 102 (2002) 3171
26. Sun M.T., Song P., Chen Y.H., and Ma F.C. Chem. Phys. Lett. 416 (2005) 94
27. Sun M.T., Chen Y.H., Song P., and Ma F.C. Chem. Phys. Lett. 413 (2005) 110
28. Tretiak S., Saxena A., Martin R.L., and Bishop A.R. Phys. Rev. Lett. 89 (2002) 097402
29. Tretiak S., Saxena A., Martin R.L., and Bishop A.R. Proc. Natl Acad. Sci. USA 100 (2003) 2185
30. Karabunarliev S., and Bittner E.R. Phys. Rev. Lett. 90 (2003) 057402
31. Andre J.M., Delhalle J., and Brédas J.L. Quantum Chemistry Aided Design of Organic Polymers, an Introduction to the Quantum Chemistry of Polymers and its Applications (1991), World Scientific, Singapore
32. Krueger B.P., Scholes G.D., and Fleming G.R. J. Phys. Chem. B 102 (1998) 5378
33. Beenken W.J.D., and Pullerits T. J. Phys. Chem. B. 108 (2004) 6164
34. Beenken W.J.D., and Pullerits T. J. Chem. Phys. 120 (2004) 2490
35. Frisch M.J., et al. Gaussian 03, Revision B.05 (2003), G, Pittsburgh, PA
36. Dreizler M.R., and Gross E.K.U. Density Functional Theory (1990), Springer, Heidelberg
37. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
38. Foresman J.B., Head-Gordon M., Pople J.A., and Frisch M.J. J. Phys. Chem. 96 (1992) 135
39. Stratmann R.E., Scuseria G.E., and Frisch M.J. J. Chem. Phys. 109 (1998) 8218
40. Katan C., Terenziani F., Mongin O., Werts M.H.V., Porrès L., Pons T., Mertz J., Tretiak S., and Blanchard-Desce M. J. Phys. Chem. A 109 (2005) 3024
41. Sun M.T. Chem. Phys. 320 (2006) 155
42. Masunov A., Tretiak S., Hong J.W., Liu B., Bazan G.C., Hong J.W., Liu B., and Bazan G.C. J. Chem. Phys. 122 (2005) 224505
43. Sun M.T. Int. J. Quantum. Chem. 106 (2006) 1020
44. M.T. Sun, T. Pullerits, P. Kjellberg, W.J.D. Beenken, K.L. Han, J. Phys. Chem. A. 110 (2006) 6324.
45. Sun M.T., and Ma F.C. J. Theor. Comput. Chem. 5 (2006) 163
46. McQuarrie D.A., and Simon J.D. Physical Chemistry. A Molecular Approach (1997), University Science Books, Sausalito, CA