Theoretical studies on the absorption and luminescent properties of a series of derivatives of 1,3-diphenyl-5-pyrene-2-yl-4,5-dihydro-1H-pyrazole

Canadian Journal of Chemistry

Volumn 83, Issue 2, 2005, Pages 166-173

  Liu, Xiao Juan ^a   Feng, Ji Kang ^a   Ren, Ai Min ^a   Zhou, Xin ^a   Cheng, Hong ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

Absorption and emission; CIS; SCRF PCM; TDDFT

Indexed keywords

ADSORPTION; EMISSION SPECTROSCOPY; LIGHT EMISSION; LUMINESCENCE; MATHEMATICAL MODELS; POLARIZATION; REACTION KINETICS; SOLVENTS; SUBSTITUTION REACTIONS;

LIGHT-EMITTING MATERIALS; LUMINESCENT PROPERTIES; SELF-CONSISTENT REACTION FIELD (SCRF); SOLVENT EFFECTS;

PHENOLS;

1,3 DIPHENYL 5 PYREN 2 YL 4,5 DIHYDRO 1H PYRAZOLE DERIVATIVE; AMINE; HYDROGEN; METHYL GROUP; PYRAZOLE DERIVATIVE; SOLVENT; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; COLOR; DENSITY FUNCTIONAL THEORY; GEOMETRY; LIGHT ABSORPTION; LIGHT EMITTING DIODE; LUMINESCENCE; MATERIALS; MODEL; REACTION ANALYSIS; REPRODUCIBILITY; SOLVENT EFFECT;

EID: 19044363111     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v04-168     Document Type: Article

References (26)

1. C.W. Tang and S.A. Van Slyke. Appl. Phys. Lett. 51, 913 (1987).
2. C.W. Tang. SID 96 Digest. 181 (1996).
3. S. Roth, M. Burghard, and G. Leising. Curr. Opin. Solid State Mater. Sci. 23, 209 (1998).
4. M. Thelakkat and H. W. Schmidt. Adv. Mater. (Weinheim, Ger.), 10, 219 (1998).
5. J. Salbeck and F. Weissortel Macromol. Symp. 125, 121 (1997).
6. B.E. Koene, D.E. Loy, and M.E. Thompson. Chem. Mater. 10, 2235 (1998).
7. C.H. Chen, J. Shi, and C.W. Tang. Macromol. Symp. 125, 1 (1997).
8. T. Sano, T. Fujii, Y. Nishio, F. Famada, K. Shibata, and K. Kuroki. Jpn. J. Appl. Phys. 34, 3124 (1995).
9. C.W. Ma, L.Q. Zhang, X.H. Li, X.S. Wang, B.W. Zhang, Y. Cao, D.M. Wang, X.Y. Jiang, Z.L. Zhang, D.Q. Zhang, and Y. Qiu. Acta Chim. Sin. 60, 847 (2002).
10. C.Q. Ma, L.Q. Zhang, J.H. Zhou, X.S. Wang, B.W. Zhang, Y. Cao, P. Bugnon, M. Schaer, F. Nüsech, D.Q. Zhang, and Y. Qiu. J. Mater. Chem. 12, 3481 (2002).
11. X.C. Gao, H. Cao, L.Q. Zhang, B.W. Zhang, Y. Cao, and C.H. Huang. J. Mater. Chem. 9, 1077 (1999).
12. J.B. Foresman, M. Head-Gordon, J.A. Pople, and M.J. Frisch. J. Phys. Chem. 96, 135 (1992).
13. M.J. Frish, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Stain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Oritz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.I. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, J.L. Andres, M. Head-Gordon, E.S. Replogle, and J.A. Pople. GAUSSIAN 98 [computer program]. Gaussian, Inc., Pittsburgh, Penn. 1998.
14. B. Buffin. Acta Crystallogr. B24, 1256 (1968).
15. B.F. Levine and C.G. Bethea. J. Chem. Phys. 65, 2429 (1976).
16. L.J. Cheng, W. Tam, S.R. Marder, A.E. Stiegman, G. Rikken, and C.W. Spangler. J. Phys. Chem. 95, 10643 (1991).
17. S.R. Marder, D.N. Bretan, and L.T. Cheng. Science (Washington, D.C.), 252, 103 (1991).
18. K. Calys, E. Hendrickx, M. Triest, T. Verbiest, A. Persoons, C. Dehu, J.L. Brédas. Science (Washington, D.C.), 262, 632 (1993).
19. G. Bourhill, J.L. Brédas, L.T. Cheng, S.R. Marder, F. Meyers, J.W. Perry, and B.G. Tiemann. J. Am. Chem. Soc. 116, 2619 (1994).
20. F.L. Huyskens, P.L. Huskens, and A.P. Persoons. J. Chem. Phys. 108, 8161 (1998).
21. C.C. Teng and A.F. Garito. Phys. Rev. Lett. 50, 350 (1983).
22. C.C. Teng and A.F. Garito. Phys. Rev. B: Condens. Matter, 28, 6766 (1983).
23. Y. Luo, A. Cesar, and H. Ågren. Chem. Phys. Lett. 252, 389 (1995).
24. R. Cammi, B. Mennucci, and J. Tomasi. J. Phys. Chem. A, 104, 4690 (2000).
25. W. Bartkowiak and J. Lipiński. J. Comput. Chem. 22, 31 (1998).
26. W. Bartkowiak and T. Misiaszek. Chem. Phys. 261, 353 (2000).