Correlation between molecular conformation, packing, and dynamics in oligofluorenes: A theoretical/experimental study

Journal of Physical Chemistry A

Volumn 116, Issue 17, 2012, Pages 4285-4295

  Bernardinelli, Oigres Daniel ^a   Faria, Gregório Couto ^a   De Oliveira Nunes, Luiz Antonio ^a   Faria, Roberto Mendonça ^a   Deazevedo, Eduardo Ribeiro ^a   Pinto, Melissa Fabíola Siqueira ^b  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b FEDERAL UNIVERSITY OF OURO PRETO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

BLUE EMISSION; CHAIN ARRANGEMENT; CHAIN PACKING; CONFORMATIONAL PROPERTIES; ELECTRONIC ABSORPTION; EXCHANGE-CORRELATION FUNCTIONALS; FLUORENES; HEPTAMERS; MODEL SYSTEM; MOLECULAR CONFORMATION; NMR SPECTRUM; OLIGOFLUORENES; OLIGOMER CHAINS; ORGANIC ELECTRONICS; ORGANIC PHOTOVOLTAICS; ORGANIC TRANSISTOR; PENTAMERS; SOLID STATE NMR;

DYNAMICS; ELECTRONIC PROPERTIES; FLUORINE CONTAINING POLYMERS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OLIGOMERS; ORGANIC LIGHT EMITTING DIODES (OLED); POLYMERS;

CONFORMATIONS;

EID: 84860498812     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp210953m     Document Type: Article

References (40)

1. Faria, G. C.; Plivelic, T. S.; Cossiello, R. F.; Souza, A. A.; Atvars, T. D. Z.; Torriani, I. L.; deAzevedo, E. R. J. Phys. Chem. B 2009, 113, 11403-11413
2. Klaerner, G.; Miller, R. D. Macromolecules 1998, 31, 2007-2009
3. Leclerc, M. J. Polym. Sci., Part A: Polym. Chem. 2001, 39, 2867-2873
4. Yang, Z.; Hu, B.; Karasz, F. E. J. Macromol. Sci., Part A: Pure Appl. Chem. 1998, A35, 233-247
5. Takeda, N.; Asaoka, S.; Miller, J. R. J. Am. Chem. Soc. 2006, 128, 16073-16082
6. Kadashchuk, A.; Schmechel, R.; von Seggern, H.; Scherf, U.; Vakhnin, A. J. Appl. Phys. 2005, 98, 02410(1)-(8)
7. Zeng, G.; Yu, W. L.; Chua, S. J.; Huang, W. Macromolecules 2002, 35, 6907-6914
8. Tsoi, W. C.; Lidzey, D. G. J. Phys.: Condens. Matter 2008, 20, 125213(1)-(8)
9. Chen, S. H.; Chou, H. L.; Su, A. C.; Chen, S. A. Macromolecules 2004, 37, 6833-6838
10. Ponder, J. W. Tinker-Software Tools for Molecular Design, version 5.1; Ponder Lab, 2003.
11. Vila, J. A.; Baldoni, H. A.; Scheraga, H. A. J. Comput. Chem. 2009, 30, 884-892
12. Zhang, Y.; Wu, A. N.; Xu, X.; Yan, Y. J. Chem. Phys. Lett. 2006, 421, 383-388
13. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J.; Vreven, T.; Kudin, K. N.; Burant, J. C.; et al. Gaussian 03, revision B.4; Gaussian: Wallingford, 2004.
14. Neese, F. ORCA-an Ab Initio, Density Functional and Semiempirical program package; University of Bonn: Bonn, 2006.
15. Ridley, J. E.; Zerner, M. C. Theor. Chim. Acta 1976, 42, 223-236
16. Bacon, A. D.; Zerner, M. C. Theor. Chim. Acta 1979, 53, 21-54
17. Scherf, U.; List, E. J. W. Adv. Mater. 2002, 14, 477-487
18. Winokur, M.; Slinker, J.; Huber, D. L. Phys. Rev. B 2003, 67, 184106(1)-(11)
19. Chen, S.; Su, A.; Su, C.; Chen, S. A. Macromolecules 2005, 38, 379-385
20. Chen, S.; Su, A.; Su, C.; Chen, S. J. Phys. Chem. B 2006, 110, 4007-4013
21. Schmidt-Rohr, K.; Spiess, H. W. Multidimensional Solid-State NMR and Polymers; Academic Press: San Diego, CA, 1994.
22. Cobo, M. F.; Malinakova, K.; Reichert, D.; Saalwachter, K.; DeAzevedo, E. R. Phys. Chem. Chem. Phys. 2009, 11, 7036-7047
23. Somma, E.; Chi, C.; Loppinet, B.; Grinshtein, J.; Graf, R.; Fytas, G.; Spiess, H. W.; Wegner, G. J. Chem. Phys. 2006, 124, 204910(1)-(8)
24. Papadopoulos, P.; Floudas, G.; Chi, C.; Wegner, G. J. Chem. Phys. 2004, 120, 2368-2374
25. Chi, C. Y.; Im, C.; Enkelmann, V.; Ziegler, A.; Lieser, G.; Wegner, G. Chem.-Eur. J. 2005, 11, 6833-6845
26. Chi, C. Y.; Lieser, G.; Enkelmann, V.; Wegner, G. Macromol. Chem. Phys. 2005, 206, 1597-1609
27. Chen, S. H.; Su, A. C.; Chen, S. A. J. Phys. Chem. B 2005, 109, 10067-10072
28. Chen, S. H.; Su, A. C.; Huang, Y. F.; Su, C. H.; Peng, G. Y.; Chen, S. A. Macromolecules 2002, 35, 4229-4232
29. Jeng, U.; Hsu, C. H.; Sheu, H. S.; Lee, H. Y.; Inigo, A. R.; Chiu, H. C.; Fann, W. S.; Chen, S. H.; Su, A. C.; Lin, T. L. Macromolecules 2005, 38, 6566-6574
30. deAzevedo, E. R.; Saalwachter, K.; Pascui, O.; De Souza, A. A.; Bonagamba, T. J.; Reichert, D. J. Chem. Phys. 2008, 128, 104505(1)-(12)
31. deAzevedo, E. R.; Hu, W. G.; Bonagamba, T. J.; Schmidt-Rohr, K. J. Am. Chem. Soc. 1999, 121, 8411-8412
32. deAzevedo, E. R.; Hu, W. G.; Bonagamba, T. J.; Schmidt-Rohr, K. J. Chem. Phys. 2000, 112, 8988-9001
33. Reichert, D.; Pascui, O.; Bonagamba, T. J.; Belton, P.; Schmidt, A.; deAzevedo, E. R. J. Magn. Reson. 2008, 191, 141-147
34. Herzfeld, J.; Berger, A. E. J. Chem. Phys. 1980, 73, 6021-6030
35. Veeman, W. S. Prog. Nucl. Magn. Reson. Spectrosc. 1984, 16, 193-235
36. Veeman, W. S. Prog. Nucl. Magn. Reson. Spectrosc. 1984, 16, 193-235
37. deAzevedo, E. R.; Franco, R. W. A.; Marletta, A.; Faria, R. M.; Bonagamba, T. J. J. Chem. Phys. 2003, 119, 2923-2934
38. Schmidt-Rohr, K.; deAzevedo, E. R.; Bonagamba, T. J. Encyclopedia of NMR; John Wiley: Chichester, 2002; Vol. 9.
39. Reichert, D.; Bonagamba, T. J.; Schmidt-Rohr, K. J. Magn. Reson. 2001, 151, 129-135
40. deAzevedo, E. R.; Bonagamba, T. J. Braz. J. Phys. 2006, 36, 61-74