Excited-state distortions of cyclometalated Ir(III) complexes determined from the vibronic structure in luminescence spectra

Journal of Physical Chemistry A

Volumn 111, Issue 17, 2007, Pages 3256-3262

  Wang, Xianghuai ^a   Li, Jian ^b   Thompson, Mark E ^b   Zink, Jeffrey I ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC TRANSITION; TIME-DEPENDENT THEORY; VIBRONIC FINE STRUCTURES;

ELECTRONIC STRUCTURE; EXCITED STATES; GLASS; INFRARED SPECTROSCOPY; LIGANDS; LUMINESCENCE; RAMAN SCATTERING;

IRIDIUM COMPOUNDS;

EID: 34249081072     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0705525     Document Type: Article

References (39)

1. Baldo, M. A.; Forrest, S. R.; Thompson, M. E. In Organic Electroluminescence; Kafafi, Z., Ed.; Optical Engineering 94; CRC Press, Taylor & Francis: Boca Raton, FL, 2005; p 267.
2. Lai, S.-W.; Che, C.-M. Top. Curr. Chem. 2004, 241, 27.
3. Hughes, G.; Bryce, M. R. J. Mater. Chem. 2005, 15, 94.
4. Colombo, M. O.; Güdel, H. U. Inorg. Chem. 1993, 32, 3081.
5. Strouse, G. F.; Güdel, H. U.; Bertolasi, V.; Ferretti, V. Inorg. Chem. 1995, 34, 5578.
6. Li, J.; Djurovich, P. I.; Alleyne, B. D.; Yousufuddin, M.; Ho, N. N.; Thomas, J. C.; Peters, J. C.; Bau, R.; Thompson, M. E. Inorg. Chem. 2005, 44, 1713.
7. Zink, J. I.; Shin, K.-S. K. In Advances in Photochemistry; Wiley: New York, 1991; Vol. 16, p 119.
8. Shin, K.-S. K.; Zink, J. I. Inorg. Chem. 1989, 28, 4358.
9. Shin, K.-S. K.; Zink, J. I. J. Am. Chem. Soc. 1990, 112, 7148.
10. Myers, A. B. In Laser Techniques in Chemistry; Wiley: New York, 1995; Vol. 23, p 325.
11. Myers, A. B. Acc. Chem. Res. 1997, 30, 519.
12. Bailey, S. E.; Zink, J. I.; Nelsen, S. F. J. Am. Chem. Soc. 2003, 125, 5939.
13. Balley, S. E.; Cohan, J. S.; Zink, J. I. J. Phys. Chem. B 2000, 104, 10743.
14. Tutt, L.; Tannor, D.; Heller, E. J.; Zink, J. I. Inorg. Chem. 1982, 21, 3858.
15. Tutt, L.; Tannor, D.; Schindler, J.; Heller, E. J.; Zink, J. I. J. Phys. Chem. 1983, 87, 3017.
16. Larson, L. J.; Zink, J. I. Inorg. Chem. 1989, 28, 3519.
17. Lee, S.-Y.; Heller, E. J. J. Chem. Phys. 1979, 71, 4777.
18. Heller, E. J. Acc. Chem. Res. 1981, 14, 368.
19. Heller, E. J.; Sundberg, R. L.; Tannor, D. J. J. Phys. Chem. 1982, 86, 1822.
20. Hanna, S. D.; Zink, J. I. Inorg. Chem. 1996, 35, 297.
21. Wootton, J. L.; Zink, J. I. J. Phys. Chem. 1995, 99, 7251.
22. Reber, C.; Zink, J. I. J. Chem. Phys. 1992, 96, 2681.
23. Henary, M.; Wootton, J. L.; Khan, S. I.; Zink, J. I. Inorg. Chem. 1997, 36, 796.
24. Henary, M.; Zink, J. I. J. Am. Chem. Soc. 1989, 111, 7407.
25. Feit, M. D.; F. J. A.; Steiger, A. J. Comput. Phys. 1982, 47, 412.
26. Jaguar 4.1; Schrödinger Inc.: Portland, OR, 2000.
27. Slater, J. C. Quantum Theory of Molecules and Solids, The Self Consistent Field for Molecules and Solids; McGraw-Hill: New York, 1974; Vol. 4.
28. Becke, A. D. Phys. Rev. A 1988, 38, 3098.
29. Perdew, J. P. Phys. Rev. B 1986, 33, 8822.
30. Perdew, J. P. Phys. Rev. B 1986, 34, 7406.
31. Vosko, S. H.; Wild, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
32. Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 299.
33. Shpol'skii, V. Sov. Phys. Uspekhi 1962, 5, 522.
34. Del Riccio, J. L.; Zhang, F.; Lacey, A. R.; Kable, S. H. J. Phys. Chem. A 2000, 104, 7442.
35. Leontidis, E.; Heinz, H.; Palewska, K.; Wallenborn, E.-U.; Suter, U. W. J. Chem. Phys. 2001, 114, 3224.
36. Bloess, A.; Durand, Y.; Matsushita, M.; Verberk, R.; Groenen, E. J. J.; Schmidt, J. J. Phys. Chem. A 2001, 105, 3016.
37. Aloshyna, M.; Kozankiewicz, B.; Hadad, C. M.; Snoonian, J. R.; Platz, M. S. J. Phys. Chem. A 2000, 104, 3391.
38. Yersin, H.; Donges, D.; Humbs, W.; Strasser, J.; Sitters, R.; Glasbeek, M. Inorg. Chem. 2002, 41, 4915.
39. Schaftenaar, G.; Noordik, J. H. J. Comput.-Aided Mol. Des. 2000, 14, 123.