Theoretical design of phosphorescence parameters for organic electro-luminescence devices based on iridium complexes

Chemical Physics

Volumn 358, Issue 3, 2009, Pages 245-257

  Minaev, Boris ^a,b   Ågren, Hans ^a   Angelis, Filippo De ^c  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b CHERKASY NATIONAL UNIVERSITY   (Ukraine)

^c CNR   (Italy)

Author keywords

Organic light emitting diodes; Phosphorescence; Quadratic response; Time dependent density functional theory

Indexed keywords

EID: 63449116074     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2009.02.014     Document Type: Article

References (54)

1. Baldo M., Lomansky S., Burrows P., Thompson M., and Forrest S. Appl. Phys. Lett. 75 (1999) 4
2. Coppo P., Plummer E., and Cola L.D. Chem. Commun. (2004) 1774
3. Slinker J., Gorodetsky A., Lowry M., Wang J., Parker S., Rohl R., Bernhard S., and Malliaras G. J. Am. Chem. Soc. 126 (2004) 2763
4. Nazeeruddin M., Wegh R., Zhou Z., Klein C., Wang Q., Angelis F.D., Fantacci S., and Grätzel M. Inorg. Chem. 45 (2006) 9245
5. Tanaka D., Agata Y., Takeda T., Watanabe S., and Kido J. Jpn. J. Appl. Phys. (2007) 46
6. Watanabe S., Ide N., and Kido J. Jpn. J. Appl. Phys. 46 (2007) 1186
7. Garces F., King K., and Watts R. Inorg. Chem. 27 (1988) 3464
8. Meyer T. Acc. Chem. Res. 11 (1978) 94
9. Baldo M., O'Brien D., You Y., Shoustikov A., Sibley S., Thompson M., and Forrest S. Nature 395 (1998) 151
10. Tsuboi T., and Aljaroudi N. Jpn. J. Appl. Phys. 44 (2005) 591
11. Slinker J., Bernards D., Houston P., Abruna H., Bernhard S., and Malliaras G. Chem. Commun. 19 (2003) 2392
12. McGlynn S.P., Azumi T., and Kinoshita M. Molecular Spectroscopy of the Triplet State Engelwood Cliffs (1969), Prentice Hall, New Jersey
13. Cao Y., Parker I., Yu G., Zhang C., and Heeger A. Nature 397 (1999) 414
14. Baldo M., O'Brien D., Thompson M., and Forrest S. Phys. Rev. B 60 (1999) 14422
15. Baldo M., and Forrest S. Phys. Rev. B 62 (2000) 10958
16. Wilson J., Dhoot A., Seeley A., Khan M., Kohler A., and Friend R. Nature 413 (2001) 828
17. Wohlgenannt M., Tandon K., Mazumdar S., Ramasesha S., and Vardeny Z. Nature 409 (2001) 494
18. Noh Y., Lee C., Kim J., and Yase K. J. Chem. Phys. 118 (2003) 2853
19. Finkenzeller W., and Yersin H. Chem. Phys. Lett. 377 (2003) 299
20. Gao F., and Bard A. J. Am. Chem. Soc. 122 (2000) 7426
21. Buda M., Kalyuzhny G., and Bard A. J. Am. Chem. Soc. 124 (2002) 6090
22. Angelis F.D., Fantacci S., Evans N., Klein C., Zakeeruddin S., Moser J., Kalyanasundaram K., Bolink H., Grätzel M., and Nazeeruddin M. Inorg. Chem. 46 (2007) 5989
23. Rudmann H., Shimada S., and Rubner M. J. Appl. Phys. 94 (2003) 115
24. Minaev B., and Ågren H. Chem. Phys. 315 (2005) 215
25. Jansson E., Minaev B., Schrader S., and Ågren H. Chem. Phys. 333 (2007) 157
26. Tunnell I., Rinkevicius Z., Salek P., Vahtras O., Helgaker T., and Ågren H. J. Chem. Phys. 119 (2003) 11024
27. Minaev B., Tunnell I., Salek P., Loboda O., Vahtras O., and Ågren H. Mol. Phys. 102 (2004) 1391
28. Yersin H. Highly Efficient OLEDs with Phosphorescent Materials (2008), Wiley-VCH
29. Nozaki K. J. Chin. Chem. Soc. 53 (2006) 101
30. Koseki S., Schmidt M., and Gordon M. J. Phys. Chem. 96 (1992) 10678
31. Koseki S., Schmidt M., Gordon M., and Matsunaga N. J. Phys. Chem. 99 (1995) 12764
32. Koseki S., Schmidt M., and Gordon M. J. Phys. Chem. A 102 (1998) 10430
33. Jansson E., Norman P., Minaev B., and Ågren H. J. Chem. Phys. 124 (2006) 114106
34. Minaev B., Wang Y.-H., Wang C.-K., Luo Y., and Ågren H. Spectrochim. Acta Part A 65 (2006) 308
35. Becke A. J. Chem. Phys. 98 (1993) 5648
36. Hay P., and Wadt W. J. Chem. Phys. 82 (1985) 299
37. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, et al., Gaussian 03, Revision C.02, Gaussian, Inc., Wallingford, CT, 2004.
38. Hehre W., Ditchfield R., and Pople J. J. Chem. Phys. 56 (1972) 2257
39. Andrae M., Haeussermann U., Dolg M., Stoll H., and Preuss H. Theor. Chim. Acta 77 (1990) 123
40. T. Helgaker, H.J.A. Jensen, P. Jørgensen, J. Olsen, K. Ruud, H. Ågren, T. Andersen, K.L. Bak, V. Bakken, O. Christiansen, et al., Dalton, A Molecular Electronic Structure Program, Release 1.2, 2001.
41. Krausz E., Higgins J., and Riesen H. Inorg. Chem. 32 (1993) 4053
42. Nozaki K., Takamori K., Nakatsugawa Y., and Ohno T. Inorg. Chem. 45 (2006) 6161
43. Minaev B., Loboda O., Vahtras O., Ruud K., and Ågren H. Theor. Chim. Acta 109 (2003) 44
44. Loboda O., Minaev B., Vahtras O., Ågren H., and Ruud K. J. Phys. Chem. 119 (2003) 3120
45. Clark S., and Tinti D. Chem. Phys. 51 (1980) 17
46. Yu L., Sriniras G., and Schwartz M. J. Mol. Struct. (Theochem) 625 (2003) 215
47. Humbs W., and Yersin H. Inorg. Chem. 35 (1996) 2220
48. Vahtras O., Minaev B., Loboda O., Ågren H., and Ruud K. Chem. Phys. 279 (2002) 133
49. Garces F.O., Dedeiam K., Keder N., and Watts R. J. Acta Crystallogr. C 49 (1993) 1117
50. Hay P. J. Phys. Chem. A 106 (2002) 1634
51. Minaev B., Molecul F., and Dumka N. Kiev 7 (1979) 34
52. Minaev B. Rus. Chem. Rev. 76 (2007) 1059
53. Macak P., Luo Y., and Ågren H. Chem. Phys. Lett. 330 (2000) 447
54. Breu J., Stossel P., Schrader S., Starukhin A., Finkenzeller W., and Yersin H. Chem. Mater. 17 (2005) 1745