Time-dependent density functional theory study on electronic and spectroscopic properties for Ph2Bq and its complexes

Theoretical Chemistry Accounts

Volumn 117, Issue 1, 2007, Pages 1-5

  Teng, Y L ^a   Kan, Y H ^b   Su, Z M ^a   Liao, Y ^a   Yang, S Y ^a   Wang, R S ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

^b HUAIYIN NORMAL UNIVERSITY   (China)

Author keywords

Organic electroluminescence; Ph2Bq; Spectrum; TD DFT

Indexed keywords

EID: 33751256284     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-005-0025-9     Document Type: Article

References (24)

1. Chen CH, Shi J (1998) Coord Chem Rev 171:161
2. Curioni A, Andreoni W (1999) J Am Chem Soc 121:8216
3. Fantacci S, Angelis FD, Sellon A (2003) J Am Chem Soc 125:4381
4. Cölle MS, Forero-Lenger, Gmeiner J, Brütting W (2003) Phys Chem Chem Phys 6:2958
5. Curioni A, Boero M, Andreoni W (1998) Chem Phys Lett 294:263
6. Sugimoto M, Sakaki S, Sakanoue K, Newton MD (2001) J Appl Phys 90:6092
7. Han YK, Lee SU (2002) Chem Phys Lett 366:9
8. Su ZM, Cheng H, Gao HZ, Shun Sl, Bei B, Wang RS, Wang Y (2000) Chem J Chin Univ 43:657
9. Amati M, Lelj F (2003) J Phys Chem 107:2560
10. Tang CW, Van Slyke SA, Chen CH (1989) J Appl Phys 65:3610
11. Amati M, Lelj F (2002) Chem Phys Lett 358:144
12. Curioni A, Boero M, Andreoni W (1998) Chem Phys Lett 294:263
13. Agimato M, Anzai M, Sakanone K (2001) Appl Phys Lett 79:2348
14. Su ZM, Gao HZ, Cheng H, Chu B, Chen LH, Wang RS (2000) Sci Chin B 43:657
15. Anderson S, Weaver MS, Hudson AJ (2000) Synth Met 111-112:459
16. Becke AD (1993) J Chem Phys 98:5648
17. Lee C, Yang W, Parr RG (1998) Phys Rev B 37:785
18. Foresman JB, Head-Gordon M, Pople JA, Frisch MJ (1992) J Phys Chem 96:135
19. Brooks BR, Laiding WD, Saxe PJ, Goddard JD, Yamaguchi YJ, Schaefer HF (1978) J Chem Phys 72:4652
20. Krishnan RJ, Schleged, HB, Pople JA (1980) J Chem Phys 72:4654
21. Casida ME, Jamorski C, Casida KC, Salahub DR (1998) J Chem Phys 108:4439
22. Frisch MJ et al. (1998) GAUSSIAN 98, Gaussian, Pittsburg
23. Curioni A, Andreoni W, Treusch R, Himpsel FJ, Haskal E, Seidler P, Heske C, Kakar S, Van Buuren T, Terminello LJ (1998) Appl Phys Lett 72:1575
24. Halls MD, Schlegel HB (2001) Chem Mater 13:2632