Theoretical studies on the electronic and optical properties of arene- versus fluoroarene-thiophene co-oligomer

Journal of Physical Organic Chemistry

Volumn 22, Issue 7, 2009, Pages 680-690

  Ran, Xue Qin ^a   Feng, Ji Kang ^a   Ren, Ai Min ^a   Tian, Wei Quan ^a   Zou, Lu Yi ^a   Liu, Yan Ling ^a   Sun, Chia Chung ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

Arene(perfluoroarene) thiophene; EA; IP; Reorganization energy; TDDFT

Indexed keywords

ARENE(PERFLUOROARENE)-THIOPHENE; EA; IP; REORGANIZATION ENERGY; TDDFT;

DENSITY FUNCTIONAL THEORY; ELECTRON INJECTION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; INTERNET PROTOCOLS; IONIZATION POTENTIAL; LIGHT EMITTING DIODES; OLIGOMERS; ORGANIC LIGHT EMITTING DIODES (OLED); ORGANIC POLYMERS; PROBABILITY DENSITY FUNCTION; THIN FILM TRANSISTORS; THIOPHENE; TUNING;

OPTICAL PROPERTIES;

EID: 67650816158     PISSN: 08943230     EISSN: 10991395     Source Type: Journal    
DOI: 10.1002/poc.1499     Document Type: Article

References (27)

1. G. Barbarella, M. Melucci, G. Sotgiu, Adv. Mater. 2005, 17, 1581-1593.
2. S. A. Lee, Y. Yoshida, M. Fukuyama, S. Hotta, Synth. Met. 1999, 106, 39-43.
3. Q. Huang, G. A. Evmenenko, P. Dutta, P. Lee, N. R. Armstrong, T. J.Marks, J. Am. Chem. Soc. 2005, 127, 10227-10242.
4. A. Facchetti, M.-H. Yoon, C. L. Stern, H. E. Katz, T. J. Marks, Angew.Chem. Int. Ed. 2003, 42, 3900-3903.
5. M.-H. Yoon, A. Facchetti, C. E. Stern, T. J. Marks, J. Am. Chem. Soc. 2006, 128, 5792-5801.
6. H.-C. Su, O. Fadhel, C.-J. Yang, T.-Y. Cho, C. Fave, M. Hissler, C.-C. Wu, R. Reau, J. Am. Chem. Soc. 2006, 128, 983-995.
7. Y.-L. Liu, J.-K. Feng, A.-M. Ren, J. Comput. Chem. 2007, 28, 2500-2509.
8. H. Yanagi, Y. Araki, T. Ohara, S. Hotta, M. Ichikawa, Y. Taniguchi, Adv.Funct. Mater. 2003, 13, 767-773.
9. J. Casado, M. C. Ruiz Delgado, Y. Shirota, V. Hernandez, J. T. Lopez Navarrete, J. Phys. Chem. B 2003, 107, 2637-2644.
10. M. Ichikawa, H. Yanagi, Y. Shimizu, S. Hotta, N. Suganuma, T. Koyama,Y. Taniguchi, Adv. Mater. 2002, 14, 1272-1275.
11. C. Videlot-Ackermann, J. Ackermann, J. Ackermann, H. Brisset, K. Kawamura, N.Yoshimoto, P. Raynal, A.EI Kassmi,F. Fages,J.Am. Chem. Soc. 2005, 127, 16346-16347.
12. S. Hotta, S. A. Lee, Synth. Met. 1999, 101, 551-552.
13. T. J. Dingemans, A. Bacher, M.Thelakkat, L. G. Pedersen, E.T. Samulski,H.-W. Schmidt, Synth. Met. 1999, 105, 171-177.
14. S. Hotta, H. Kimura, S. A. Lee, T. Tamaki, J. Heterocycl. Chem. 2000, 37, 281-286.
15. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. 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, 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. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachair, J. B. Foresman, J. V. Ortiz, Q. Cui, I. Baboul, 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 03, Revision B.04. Gaussian, Inc., Pittsburgh, PA, 2003.
16. S. E. Koh, B. Delley, J. E. Medvedeva, A. Facchetti, A. J. Freeman, T. J. Marks, M. A. Ratner, J. Phys. Chem. B 2006, 110, 24361-24370.
17. S. E. Koh, C. Risko, D. A. da Silva Filho, O. Kwon, A. Facchetti, J.-L.Bredas, T. J. Marks, M. A. Ratner, Adv. Funct. Mater. 2008, 18, 332-340.
18. M. A. De Oliveira, H. A. Duarte, J. M. Pernaut, W. B. De Almeida, J. Phys.Chem. A 2000, 104, 8256-8262.
19. A. J. Epstein, W. P. Lee, V. N. Prigodin, Synth. Met. 2001, 117, 9.
20. J. A. Reedijk, H. C. F. Martens, S. M. C. van Bohemen, O. Hilt, H. B. Brom,M. A. J. Michels, Synth. Met. 1999, 101, 475-476.
21. N. F. Mott, E. A. Davis, Electronic Processes in Non-Crystalline Materials,2nd edn. Oxford University Press: Oxford, 1979.
22. G. R. Hutchison, M. A. Ratner, T. J. Marks, J. Am. Chem. Soc. 2005, 127, 2339-2350.
23. R. A. Marcus, Rev. Mod. Phys. 1993, 65, 599-610.
24. R. A. Marcus, H. Eyring, Annu. Rev. Phys. Chem. 1964, 15, 155-196.
25. N. S. Hush, J. Chem. Phys. 1958, 28, 962-972.
26. R. A. Marcus, J. Chem. Phys. 1956, 24, 966-978.
27. V. Lukes, A. Aquino, H. Lischka, J. Phys. Chem. A 2005, 109, 10232-10238.