Highly emitting neutral dinuclear rhenium complexes as phosphorescent dopants for electroluminescent devices

Advanced Functional Materials

Volumn 19, Issue 16, 2009, Pages 2607-2614

  Mauro, Matteo ^a   Procopio, Elsa Quartapelle ^a   Sun, Yinghui ^b   Chien, Chen Han ^c   Donghi, Daniela ^a   Panigati, Monica ^a   Mercandelli, Pierluigi ^a   Mussini, Patrizia ^a   D'Alfonso, Giuseppe ^a   De Cola, Luisa ^b  

^a UNIVERSITY OF MILAN   (Italy)

^b UNIVERSITY OF MÜNSTER   (Germany)

^c NATIONAL CHIAO TUNG UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ALKYL GROUPS; AS-LIGANDS; BLUE SHIFT; DENSITY FUNCTIONALS; DINUCLEAR; ELECTROLUMINESCENT DEVICES; EMISSION QUANTUM YIELD; LIGHT EMITTING DEVICES; MATRIX; ORGANIC LIGHT-EMITTING DEVICES; PHOSPHORESCENT DOPANT; PHOTOPHYSICAL PROPERTIES; POLY(9-VINYLCARBAZOLE); PROCESSABLE; RELATIVE STABILITIES; RHENIUM COMPLEXES; TIME-DEPENDENT DENSITY; TOLUENE SOLUTION; VACUUM SUBLIMATION;

CHARGE TRANSFER; ELECTROCHEMICAL PROPERTIES; ELECTROLUMINESCENCE; ELECTRONIC STRUCTURE; ION EXCHANGE; LIGHT; LIGHT EMISSION; LUMINESCENT DEVICES; OPTOELECTRONIC DEVICES; PHOSPHORESCENCE; RHENIUM; TOLUENE;

RHENIUM COMPOUNDS;

EID: 70349263922     PISSN: 1616301X     EISSN: 16163028     Source Type: Journal    
DOI: 10.1002/adfm.200900744     Document Type: Article

References (46)

1. M. A. Baldo, M. E. Thompson, S. R. Forrest, Pure Appl. Chem. 1999, 71, 2095.
2. P.-T Chou, Y. Chi, Chem. Eur. J. 2007, 13, 380.
3. C. Adachi, M. A. Baldo, M. E. Thompson, S. R. Forrest, J. Appl. Phys. 2001, 90, 5048.
4. For OLED devices, see for instance: a) Y. Li, Y. Liu, J. Cuo, F. Wu, W. Tian, B. Li, Y. Wang, Synth. Met. 2001, 118, 175.
5. b) X. Li, D. Zhang, W. Li, B. Chu, L Han, J. Zhu, Z. Su, D. Bi, D. Wang, D. Yang, Y. Chen, Appl. Phys. Lett. 2008, 92, 83302.
6. c) J. Li, Z. Si, C. Liu, C. Li, F. Zhao, Y. Duan, P. Chen, S. Liu, B. Li, Semicond. Sci. Technol. 2007, 22, 553.
7. d) S. Ranjan, S.-Y. Lin, K.-C. Hwang, Y. Chi, W.-L. Ching, C.-S. Liu, y.-T. Tao, C.-H. Chien, S.-M. Peng, C.-H. Lee, Inorg. Chem. 2003, 42, 1248.
8. For polymer light emitting devices see for instance: a) L. Qian, D. Bera, P. H. Holloway, Appl. Phys. Lett. 2007, 90, 103511.
9. b) Y.-Y. Lü, C.-C. Jü, D. Cuo, Z.-B. Deng, K.-Z. Wang, J. Phys. Chem. C 2007, 111, 5211.
10. c) G. David, P. J. Walsh, K. C. Cordon, Chem. Phys. Lett. 2004, 383, 292.
11. d) W. K. Chan, P. K. Ng, X. Cong, Appl. Phys. Lett. 1999, 75, 3920.
12. e) Y. P. Wang, W. F. Xie, B. Li, W. L. Li, Chin. Chem. Lett. 2007, 18, 1501.
13. f) B. Li, M. Li, Z. Hong, W. Li, T. Yu, H. Wei, Appl. Phys. Lett. 2004, 85, 4786.
14. D. Donghi, G. D'Alfonso, M. Mauro, M. Panigati, P. Mercandelli, A. Sironi, P. Mussini, L D'Alfonso, Inorg. Chem. 2008, 28, 4243.
15. M. Panigati, D. Donghi, C D'Alfonso, P. Mercandelli, A. Sironi, L D'Alfonso, Inorg. Chem. 2006, 26, 10909.
16. int) is the difference between the energy of the complex (ML) and that of the constituting metal and ligand fragments (M and L), computed employing the frozen geometry of the complex. A stronger metal-ligand interaction corresponds to a more negative interaction energy value.
17. int, -288 and -293 kJ mol(1, respectively). More details can be found in the Supporting Information (Table S2).
18. J. Sauer, D. K. Heldmann, J. Hetzenegger, J. Krauthan, H. Sichert, J. Schuster, Eur. J. Org. Chem. 1998, 2885.
19. p vs log v slopes, as well as on the typical reversible peak morphological parameters.
20. In the previous study it was shown that the position of the reduction peaks is well rationalized in terms of Hammett constants of the diazine substituents, giving a neat linear relationship with a rather high slope, on which the novel data here acquired nicely fit (Figure S1, Supporting Information).
21. In particular, the dEp/dlog v slopes (Table S1, Supporting Information) are small but significant and the half-peak widths are higher than the expected 30 mV.
22. A. J. Bard, L. R. Faulkner, in Electrochemical Methods: Fundamentals and Applications, Wiley, New York 2001.
23. J. M. Savéant, in Elements of Molecular and Biomolecular Electrochemistry, Wiley, New York 2006.
24. s for 1) and all the transitions described are indeed symmetry allowed. A list of all the excitations contributing to the bands discussed in the paper for compound 0, 1, and 4 are reported in the Supporting Information (Table S3), along with their description in terms of singly excited configurations. Both gas-phase and solution values are reported.
25. P. J. Giordano, M. S. Wrighton, J. Am. Chem. Soc. 1979, 101, 2888.
26. M. Wrighton, D. L. Morse, J. Am. Chem. Soc. 1974, 96, 998.
27. P. J. Giordano, S. M. Fredericks, M. Wrighton, D. L. Morse, J. Am. Chem. Soc. 1978, 100, 2257.
28. S. P. Schmidt, W. C Trogler, F. Basolo, Inorg. Synth. 1985, 23, 41.
29. The data for this compound have already been published [6] and are reported here for comparison.
30. A. J. Bard, L. R. Faulkner, in Electrochemical Methods: Fundamentals and Applications, Wiley, New York 2002, pp. 648.
31. a) C Gritzner, J. Kuta, Pure Appl. Chem. 1984, 56, 461.
32. b) G. Gritzner, Pure Appl. Chem. 1990, 62, 1839.
33. a) I. Noviandri, K. N. Brown, D. S. Fleming, P. T. Culyas, P. A. Lay, A. F. Masters, L Phillips, J. Phys. Chem. B 1999, 103, 6713.
34. b) J. Ruiz, D. Astruc, Comptes Rendus Acad. Sci, Série IIc: Chemie 1998, 1, 21.
35. c) L. Falciola, A. Gennaro, A. A. Isse, P. R. Mussini, M. Rossi, J. Electroanal. Chem. 2006, 593, 47.
36. C Called PBE1PBE in Gaussian: a) C. Adamo, V. Barone, J. Chem. Phys. 1999, 111, 6158.
37. b) J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 1996, 77, 3865.
38. c) J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 1997, 78, 1396.
39. N. R. Kestner, J. E. Combariza, in Reviews in Computational Chemistry, Vol.13(Eds: K. B. Lipkowitz, D. B. Boyd ), Wiley-VCH, New York 1999, pp. 99-132.
40. a) V. Barone, M. Cossi, J. Phys. Chem. A 1998, 102, 1995.
41. b) M. Cossi, V. Barone, J. Chem. Phys. 2001, 115, 4708.
42. c) M. Cossi, N. Rega, C Scalmani, V. Barone, J. Comput. Chem. 2003, 24, 669.
43. Gaussian 03, Revision C.02, M. J. Frisch, C W. Trucks, H. B. Schlegel, C E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. 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, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 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. C. Zakrzewski, S. 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. C Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, C. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, Gaussian, Inc. Wallingford CT 2004.
44. C A. Crosby, J. N. C Demas, J. Am. Chem. Soc. 1970, 92, 7262.
45. A. B. Tamayo, B. D.Alleyne, P. I. Djurovich, S. Lamansky, I. Tsyba, N. N. Ho, R. Bau, M. E. Thompson J. Am. Chem. Soc. 2003, 125, 7377.
46. F.-M. Hsu, C.-H. Chien, P.-I. Shih, C.-F. Shu, Chem. Mater. 2009, 21, 1017.