Lowest triplet excited states of a novel heteroleptic iridium(III) complex and their role in the emission colour

Journal of Molecular Structure: THEOCHEM

Volumn 912, Issue 1-3, 2009, Pages 21-26

  Costa, Rubén D ^a   Viruela, Pedro M ^a   Bolink, Henk J ^a   Ortí, Enrique ^a  

^a UNIVERSITY OF VALENCIA   (Spain)

Author keywords

Blue emission; Emitting triplet states; Heteroleptic iridium complexes; Ligand centered; Metal to ligand charge transfer

Indexed keywords

EID: 69949142519     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.02.031     Document Type: Article

References (30)

1. Rudmann H., and Rubner M.F. J. Appl. Phys. 90 (2001) 4338
2. Tamayo A.B., Garon S., Sajoto T., Djurovich P.I., Tsyba I.M., Bau R., and Thompson M.E. Inorg. Chem. 44 (2005) 8723
3. Slinker J., Bernards D., Houston P.L., Abruña H.D., Bernhard S., and Malliaras G.G. Chem. Commun. (2003) 2392
4. Bolink H.J., Cappelli L., Coronado E., Graetzel M., Ortí E., Costa R.D., Viruela P.M., and Nazeeruddin M.K. J. Am. Chem. Soc. 128 (2006) 14786
5. Bolink H.J., Cappelli L., Cheylan S., Coronado E., Costa R.D., Lardiés N., Nazeeruddin M.K., and Ortí E. J. Mat. Chem. 17 (2007) 1
6. Bolink H.J., Coronado E., Costa R.D., Ortí E., Sessolo M., Graber S., Doyle K., Neuburger N., Housecroft C.E., and Constable E.C. Adv. Mater. 20 (2008) 3910
7. Tamayo A.B., Alleyne B.D., Djurovich P.I., Lamansky S., Tsyba I., Ho N.N., Bau R., and Thompson M.E. J. Am. Chem. Soc. 125 (2003) 7377
8. Polson M., Fracasso S., Bertolasi V., Ravaglia M., and Scandola F. Inorg. Chem. 43 (2004) 1950
9. Neve F., La Deda M., Crispini A., Bellusci A., Puntoriero F., and Campagna S. Organometallics 23 (2004) 5856
10. Lo K.K.W., Chung C.K., Lee T.K.M., Lui L.H., Tsang K.H.K., and Zhu N.Y. Inorg. Chem. 42 (2003) 6886
11. Plummer E.A., Hofstraat J.W., and De Cola L. Dalton Trans. (2003) 2080
12. De Angelis F., Fantacci S., Evans N., Klein C., Zakeeruddin S.M., Moser J.E., Kalyanasundaram K., Bolink H.J., Graetzel M., and Nazeeruddin M.K. Inorg. Chem. 46 (2007) 5989
13. Di Censo D., Fantacci S., De Angelis F., Klein C., Evans N., Kalyanasundaram K., Bolink H.J., Graetzel M., and Nazeeruddin M.K. Inorg. Chem. 47 (2008) 980
14. Su H.C., Chen H.F., Fang F.C., Liu C.C., Wu C.C., Wong K.T., Liu Y.H., and Peng S.M. J. Am. Chem. Soc. 130 (2008) 3413
15. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, T.J. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Startmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, J.M. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Cliffors, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, I. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Manayakkara, M. Challacombe, P.M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 2003, Revision C.02, Gaussian Inc., Pittsburgh PA, 2003.
16. Becke A.D. J. Chem. Phys. 88 (1988) 2547
17. Becke A.D. J. Chem. Phys. 98 (1993) 5648
18. Lee C.T., Yang W.T., and Parr R.G. Phys. Rev. B 37 (1988) 785
19. Francl M.M., Pietro W.J., Hehre W.J., Binkley J.S., Gordon M.S., Defrees D.J., and Pople J.A. J. Chem. Phys. 77 (1982) 3654
20. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 299
21. Liu T., Zhang H.-X., and Xia B.-H. J. Phys. Chem. A 111 (2007) 8724
22. Lee S.J., Park K.-M., Yang K., and Kang Y. Inorg. Chem. 48 (2009) 1030
23. Terki R., Simoneau L.-P., and Rochefort A. J. Phys. Chem. A 113 (2009) 534
24. Casida M.E., Jamorski C., Casida K.C., and Salahub D.R. J. Chem. Phys. 108 (1998) 4439
25. Jamorski C., Casida M.E., and Salahub D.R. J. Chem. Phys. 104 (1996) 5134
26. Petersilka M., Gossmann U.J., and Gross E.K.U. Phys. Rev. Lett. 76 (1996) 1212
27. Reed A.E., and Weinhold F. J. Chem. Phys. 78 (1983) 4066
28. Reed A.E., Weinstock R.B., and Weinhold F. J. Chem. Phys. 83 (1985) 735
29. Reed A.E., Curtiss L.A., and Weinhold F. Chem. Rev. 88 (1988) 899
30. Tomasi J., and Persico M. Chem. Rev. 94 (1994) 2027