On the optical properties of fluoranthenopyracylene ladder type molecule series

Synthetic Metals

Volumn 157, Issue 4-5, 2007, Pages 214-221

  Matuszná, Katarína ^a   Lukeš, Vladimír ^a   Rapta, Peter ^a,b   Dunsch, Lothar ^b   Aquino, Adelia Justina Aguiar ^c   Lischka, Hans ^c  

^a SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

^b IFW DRESDEN   (Germany)

^c UNIVERSITY OF VIENNA   (Austria)

Author keywords

Fluorescence; Optical spectra; Polymer limit; TDDFT; Vibronic structure

Indexed keywords

ABSORPTION SPECTRA; DENSITY FUNCTIONAL THEORY; ELECTRIC EXCITATION; FLUORESCENCE; OPTICAL PROPERTIES; OPTIMIZATION;

FLUORANTHENOPYRACYLENE; POLYMER LIMITS; VIBRONIC STRUCTURES;

OLIGOMERS;

EID: 34248215717     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.synthmet.2007.01.014     Document Type: Article

References (35)

1. Chiang C.K., Fincher C.R., Park Y.W., Heeger A.J., Shirakawa H., Louis E.J., Gau S.C., and MacDiarmid A.G. Phys. Rev. Lett. 39 (1977) 1098
2. Breza M., Lukeš V., and Vrábel I. J. Mol. Struct. (Theochem.) 391 (1997) 193
3. Bouzakraoui S., Bouzzine S.M., Bouchrine M., and Hamidi M. J. Mol. Struct. (Theochem.) 725 (2005) 39
4. Roncali J. Chem. Rev. 92 (1992) 711
5. Long Y., Chen Z.J., Wang N.L., Ma Y.J., Zhang Z., Zhang L.J., and Wan M.X. Appl. Phys. Lett. 83 (2003) 1863
6. Gierschner J., Mack H.-G., Lüer L., and Oelkrug D. J. Chem. Phys. 116 (2002) 8596
7. Sancho-Garcia J.C., Foden C.L., Grizzi I., Greczynski G., De Jong M.P., Salaneck W.R., Bredas J.L., and Cornil J. J. Phys. Chem. B 108 (2004) 5594
8. Johansson N., Salbeck J., Bauer J., Weissörtel F., Bröms P., Andresson A., and Salaneck W.R. Synth. Met. 101 (1999) 405
9. Wang J.F., Feng J.K., Ren A.M., Liu X.D., Ma Y.G., Lu P., and Xhang H.X. Macromolecules 37 (2004) 3451
10. Scherf U. In: Skotheim T.A., Elsenbaumer R.L., and Reynolds J.R. (Eds). Handbook of Conducting Polymers (1998), Marcel Dekker, New York pp. 363-379
11. Geerts Y., Klärner G., and Müllen K. In: Müllen K., and Wagner G. (Eds). Electronic Materials: The Oligomer Approach (1998), Wiley-VCH, Weinheim, Germany pp. 485-488
12. S. Pesant, P. Boulanger, M. Côté, M. Ernzerhof, http://.arxiv.org/PS_cache/cond-mat/pdf/0610/0610326.pdf.
13. Oyaizu K., Iwasaki T., Tsukahara Y., and Tsuchida E. Macromolecules 37 (2004) 1257
14. Jacob J., Sax S., Piok T., List E.J.W., Grimsdale A.C., and Müllen K. J. Am. Chem. Soc. 126 (2004) 6987
15. Mahrt R.F., Pauck T., Lemmer U., Siegner U., Hopmeier M., Hennig R., Bässler H., Göbel E.O., Haring Bolivar P., Wegmann G., Kurz H., Scherf U., and Müllen K. Phys. Rev. B 54 (1996) 1759
16. Kertesz M., and Ashertehrani A. Macromolecules 29 (1996) 940
17. Bendikov M., Duong H.M., Starkey K., Houk K.N., Carter E.A., and Wudl F. J. Am. Chem. Soc. 126 (2004) 7416
18. Dierschke F., Grimsdale A.C., and Müllen K. Macromol. Chem. Phys. 205 (2004) 1147
19. Parr R.G., and Yang W. Density-functional Theory of Atoms and Molecules (1989), Oxford University Press, New York
20. Furche F., and Ahlrichs R. J. Chem. Phys. 117 (2002) 7433
21. Rapta P., Schulte N., Schlüter A.D., and Dunsch L. Chem. Eur. J. 12 (2006) 3103
22. Lukeš V., and Matuszná K. J. Mol. Struct.-Theochem. 776 (2006) 69
23. Bauernschmitt R., and Ahlrichs R. Chem. Phys. Lett. 256 (1996) 454
24. Bauernschmitt R., Häser M., Treutler O., and Ahlrichs R. Chem. Phys. Lett. 264 (1997) 573
25. Becke A.D. J. Chem. Phys. 98 (1993) 5648
26. Ahlrichs R., Bär M., Häser M., Horn H., and Kölmel C. Chem. Phys. Lett. 162 (1989) 165
27. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Montgomery Jr. J.A., Vreven T., Kudin K.N., Burant J.C., Millam J.M., Iyengar S.S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G.A., Nakatsuji H., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Klene M., Li X., Knox J.E., Hratchian H.P., Cross J.B., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Ayala P.Y., Morokuma K., Voth G.A., Salvador P., Dannenberg J.J., Zakrzewski V.G., Dapprich S., Daniels A.D., Strain M.-C., Farkas O., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Ortiz J.V., Cui Q., Baboul A.G., Clifford S., Cioslowski J., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Gonzalez C., and Pople J.A. GAUSSIAN 03, Revision A.1 (2003), Gaussian Inc., Pittsburgh, PA
28. Ahlrichs R., Furche F., and Grimme S. Chem. Phys. Lett. 325 317 (2000) and references therein
29. Dunning T.H., and Harrison P.J. In: Shaefer III H.F. (Ed). Modern Theoretical Chemistry vol. 2 (1977), Plenum Press, New York
30. Neudorff W.D., Schulte N., Lentz D., and Schlüter A.D. Org. Lett. 3 (2001) 3115
31. Schlicke B., Frahn J., and Schlüter A.D. Synth. Met. 83 (1996) 173
32. Wehmeier M., Wagner M., and Muellen K. Chem. Eur. J. 10 (2001) 2197
33. Belletête M., Wakim S., Leclerc M., and Durocher G. J. Mol. Struct. (Theochem.) 760 (2006) 147
34. Belletête M., Durocher G., Hamel S., Côté M., Wakim S., and Leclerc M. J. Chem. Phys. 122 (2005) 104303
35. Brandsen B.H., and Joachain C.J. Physics of Atoms and Molecules (1983), Longman Group Limited, London