Theoretical study on photophysical properties of ambipolar spirobifluorene derivatives as efficient blue-light-emitting materials

Journal of Physical Chemistry A

Volumn 113, Issue 27, 2009, Pages 7933-7939

  Ran, Xue Qin ^a   Feng, Ji Kang ^a   Ren, Ai Min ^a   Li, Wen Chao ^a   Zou, Lu Yi ^a   Sun, Chia Chung ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AMBIPOLAR; BALANCE PERFORMANCE; BLUE LIGHT EMITTING MATERIALS; CHARGE TRANSPORT; ELECTRON ACCEPTOR; ELECTRON DONORS; EXCITON-BINDING ENERGY; OPTICAL AND ELECTRONIC PROPERTIES; PHOTOPHYSICAL PROPERTIES; REORGANIZATION ENERGIES; SINGLET EXCITED STATE; SPIROBIFLUORENE; THEORETICAL STUDY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TRANSPORTING MATERIALS;

BINDING ENERGY; CHARGE TRANSFER; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; EXCITED STATES; INTEGRATED OPTOELECTRONICS; ION EXCHANGE; IONIZATION POTENTIAL; LIGHT EMISSION; LIGHT EMITTING DIODES; MATERIALS; ORGANIC LIGHT EMITTING DIODES (OLED); PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY;

EID: 67649875709     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp903511r     Document Type: Article

References (29)

1. Saragi, T. P. I.; Spehr, T.; Siebert, A.; Fuhrmann-Lieker, T.; Salbeck, J. Chem. Rev. 2007, 107, 1011-1065.
2. Pudzich, R.; Salbeck, J. Synth. Met. 2003, 138, 21-31.
3. Lin, H.-W.; Ku, S.-Y.; Su, H.-C.; Huang, C.-W.; Lin, Y.-T.; Wong, K.-T.; Wu, C.-C. Adv. Mater. 2005, 17, 2489-2493.
4. Shirota, Y.; Kinoshita, M.; Noda, T.; Okumoto, K.; Ohara, T. J. Am. Chem. Soc 2000, 122, 11021-11022.
5. Zhu, Y.; Kulkami, A. P.; Jenekhe, S. A. Chem. Mater. 2005, 17, 5225-5227.
6. Chen, C.-T.; Lin, J.-S.; Moturu, M. V. R. K.; Lin, Y.-W.; Yi, W.; Tao, Y.-T.; Chen, C-H. Chem. Commun. 2005, 16, 3980-3982.
7. Xu, X.; Chen, S.; Yu, G.; Di, C.; You, H.; Ma, D.; Liu, Y. Adv. Mater. 2007, 19, 1281-1285.
8. Haung, T.-H.; Lin, J.-T.; Chen, L.-Y.; Lin, Y.-T.; Wu, C.-C. Adv. Mater. 2006, 18, 602-606.
9. Li, Z. H.; Wong, M. S.; Fukutani, H.; Tao, Y. Org. Lett. 2006, 8, 4211-4214.
10. Habrard, F.; Ouisse, T.; Stephan, O.; Aubouy, L.; Gerbier, P.; Hirsch, L.; Huby, N.; Vander Lee, A. Synth. Met. 2006, 156, 1262-1270.
11. Lee, T. H.; Tong, K. L.; So, S. K.; Leung, L. M. Synth. Met. 2005, 155, 116-124.
12. Chien, Y.-Y.; Wong, K.-T.; Chou, P.-T.; Cheng, Y.-M. Chem. Commun. 2002, 2874-2875.
13. Ku, S.-Y.; Cheng, Y.-M.; Lin, X.-Y.; Hung, Y.-Y.; Pu, S.-C.; Wong, K.-T.; Chou, P.-T.; Lee, G.-H. Org. Chem. 2006, 71, 456-465.
14. Liao, Y.-L.; Lin, C-Y.; Wong, K.-T.; Hou, T.-H.; Hung, W.-Y. Org. lett. 2007, 4511-4514.
15. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachair, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Rev. B.04; Gaussian, Inc.: Pittsburgh, PA, 2003.
16. Hay, P. J. J. Phys. Chem. A 2002, 106, 1634-1641.
17. Curioni, A.; Andreoni, W.; Treusch, R.; Himpsel, F. J.; Haskal, E.; Seidler, P.; Heske, C.; Kakar, S.; van Buren, T.; Terminello, L. J. Appl. Phys. Lett. 1998, 72, 1575-1577.
18. Hong, S. Y.; Kim, D. Y.; Kim, C Y.; Hoffmann, R. Macromolecules 2001, 34, 6474-6481.
19. Epstein, A. J.; Lee, W. P.; Prigodin, V. N. Synth. Met. 2001, 117, 9.
20. Reedijk, J. A.; Martens, H. C F.; van Bohemen, S. M. C.; Hilt, O.; Brom, H. B.; Michels, M. A. J. Synth. Met. 1999, 101, 475-476.
21. Mott, N. F.; Davis, E. A. Electronic Processes in Non-Crystalline Materials, 2nd ed.; Oxford University Press: Oxford, 1979.
22. Hutchison, G. R.; Ratner, M. A.; Marks, T. J. J. Am. Chem. Soc. 2005, 127, 2339-2350.
23. Marcus, R. A. Rev. Mod. Phys. 1993, 65, 599-610.
24. Marcus, R. A.; Eyring, H. Annu. Rev. Phys. Chem. 1964, 15, 155-196.
25. Hush, N. S. J. Chem. Phys. 1958, 28, 962-972.
26. Marcus, R. A. J. Chem. Phys. 1956, 24, 966-978.
27. Peyerimhoff, S. D. In The Encyclopedia of Computational Chemistry; Schleyer, P. von R., Allinger, N. L., Clark, T., Gasteiger, J., Kollman, P. A., Schaefer, H. F., III, Schreiners, P. R., Eds.; Wiley: Chichester, U.K., 1998; pp 2646-2664.
28. Litani-Barzilai, I.; Bulatov, V.; Schechter, I. Annal. Chim. Acta 2004, 501, 151-156.
29. Lukeš, V.; Aquino, A.; Lischka, H. J. Phys. Chem. A 2005, 109, 10232-10238.