Molecular mechanics study of the influence of the alkyl substituents on the packing of the conjugated PEDOT chains

Chemical Physics Letters

Volumn 432, Issue 1-3, 2006, Pages 167-171

  Dkhissi, A ^a,b,c   Brocorens, P ^a   Lazzaroni, R ^a  

^a UNIVERSITY OF MONS   (Belgium)

^b LAAS CNRS   (France)

^c INSTITUT D ELECTRONIQUE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DERIVATIVES; MOLECULAR STRUCTURE;

MOLECULAR MECHANICS; POL(3,4-ETHYLENEDIOXYTHIOPHENE (PEDOT); STERIC HINDRANCE;

ORGANIC POLYMERS;

EID: 33750937933     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.10.015     Document Type: Article

References (30)

1. Friend R.H., et al. Nature 397 (1999) 121
2. Groenendaal L., Jonas F., Freitag D., Pielartzik H., and Reynolds R. Adv. Mater. 12 (2000) 481
3. Groenendaal L., Zotti G., Auber P.H., Waybright S.M., and Reynolds R. Adv. Mater. 15 (2003) 855
4. For more info on AGFA's PEDOT/PSS (ORGACON) products, see http://www.agfa.com/sfc/polymer.
5. Heywang G., and Jonas F. Adv. Mater. 4 (1992) 116
6. Dietrich M., Heinze J., Heywang G., and Jonas F. J. Electroanal. Chem. 369 (1994) 87
7. Jonas F., and Heywang G. Electrochim. Acta 39 (1994) 1345
8. Yamato H., Ohwa M., and Wernet W. J. Electroanal. Chem. 397 (1995) 163
9. Ehrendorfer Ch., and Karpfen A. J. Phys. Chem. 98 (1994) 7492
10. Lefebvre M., Qi Z., Rana D., and Pickup P.G. Chem. Mater. 11 (1999) 62
11. Li G., and Pickup P.G. Phys. Chem. Chem. Phys. 2 (2000) 1255
12. Kim J.Y., Hung J.H., Lee D.E., and Joo J. Synth. Met. 126 (2002) 311
13. Tretiak S., Saxena A., Martin R.L., and Bishop A.R. J. Phys. Chem. 104 (2000) 7029
14. Cornil J., Beljonne D., Calbert J.P., and Bredas J.L. Adv. Mater. 13 (2001) 1
15. Hirschberg J., Brunsveld L., Ramzi A., Vekemans J., Sijbesma R.P., and Meijer E.W. Nature. 407 (2000) 167
16. Gallivan J.P., and Schuster G.B. J. Org. Chem. 60 (1995) 2423
17. van Gorp J.J., Vekemans J., and Meijer E.W. J. Am. Chem. Soc. 124 (2002) 14759
18. Heywang G., and Jonas F. Adv. Mater. 4 (1992) 116
19. Groenendaal L., Zotti G., and Jonas F. Synth. Met. 118 (2001) 105
20. Gaussian 98, Revision A.7, Gaussian, Inc., Pittsburgh, PA, 1998.
21. Dkhissi A., Beljonne D., Lazzaroni R., Louwet F., Groenendaal L., and Brédas J.L. Int. Jour. Quant. Chem. 91 (2003) 517
22. Rappe A.K., Casewit C.J., Colwell K.S., Goddard III W.A., and Skiff W.M. J. Am. Chem. Soc. 114 (1992) 10024
23. Casewit C.J., Colwell K.S., and Rappe A.K. J. Am. Chem. Soc. 114 (1992) 10035
24. Casewit C.J., Colwell K.S., and Rappe A.K. J. Am. Chem. Soc. 114 (1992) 10046
25. Leclere Ph., et al. Prog. Polym. Sci. 28 (2003) 55
26. Dkhissi A., and Adamowicz L. G. Maes. J. Phys. Chem. A. 104 (2000) 2112
27. Sinnokrot M.O., and Valeev E.F. C.D. Sherill. J. Am. Chem. Soc. 124 (2002) 10887
28. Tauer T.P., and Sherill C.D. J. Phys. Chem. A. 109 (2005) 10475
29. Winkur M.J., and Chunwachirasiri W. J. Polym. Sci. 41 (2003) 2630
30. Sirringhauss H., Tessler N., and Friend R.H. Science. 280 (1998) 1741