Theoretical study of phenylene-thiophene oligomers: Structure-properties relationship

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 99, Issue , 2012, Pages 126-135

  Hlel, A ^a   Mabrouk, A ^a   Chemek, M ^a   Alimi, K ^a  

^a FACULTÉ DES SCIENCES DE MONASTIR   (Tunisia)

Author keywords

DFT; Electronic structure; Nanostructure; OLEDs; Oligo(phenylene thiophene)

Indexed keywords

BATHOCHROMIC SHIFT; CONFORMATIONAL BEHAVIOR; CONJUGATION LENGTH; DFT; GEOMETRICAL CHARACTERISTICS; OLEDS; OLIGO(PHENYLENE-THIOPHENE); PHENYLENE GROUPS; PHOTOPHYSICAL PARAMETERS; STERIC EFFECT; STRUCTURE-PROPERTIES RELATIONSHIPS; THEORETICAL RESULT; THEORETICAL STUDY; VIBRATIONAL MODES;

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; IONIZATION POTENTIAL; NANOSTRUCTURES; OLIGOMERS; OPTICAL PROPERTIES; OPTOELECTRONIC DEVICES;

THIOPHENE;

BENZENE DERIVATIVE; THIOPHENE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRON; INFRARED SPECTROPHOTOMETRY; LUMINESCENCE; QUANTUM THEORY; ULTRAVIOLET SPECTROPHOTOMETRY;

BENZENE DERIVATIVES; ELECTRONS; LUMINESCENT MEASUREMENTS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; SPECTROPHOTOMETRY, ULTRAVIOLET; THIOPHENES;

EID: 84867134113     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.08.082     Document Type: Article

References (65)

1. F. Silvestri, and A. Marrocchi Int. J. Mol. Sci. 11 2010 1471 1508
2. H.S. Nalwa Handbook of Organic Conductive Molecules and Polymers 13 1997 Wiley New York
3. F. Martínez, G. Neculqueo, S.O. Vásquez, R. Letelier, M.T. Garland, A. Ibañez, and J.C. Bernède J. Mol. Struct. THEOCHEM 973 2010 56 61
4. H. Yanagi, Y. Araki, T. Ohara, S. Hotta, M. Ichikawa, and Y. Taniguchi Adv. Funct. Mater. 13 2003 767 773
5. J. Casado, M.C.R. Delgado, Y. Shirota, V. Hernandez, and J.T.L. Navarrete J. Phys. Chem. B 107 2003 2637 2644
6. M. Ichikawa, H. Yanagi, Y. Shimizu, S. Hotta, N. Suganuma, T. Koyama, and Y. Taniguchi Adv. Mater. 14 2002 1272 1275
7. C.V. Ackermann, J. Ackermann, H. Brisset, K. Kawamura, N. Yoshimoto, P. Raynal, A. EI Kassmi, and F. Fages J. Am. Chem. Soc. 127 2005 16346 16347
8. L. Yang, J.K. Feng, and A.M. Ren J. Mol. Struct. THEOCHEM 758 2006 29 39
9. P. Bäuerle, K. Müllen, and G. Wegner 1998 Wiley-VCH Weinheim, NY 105 197
10. H. Zgou, S.M. Bouzzine, S. Bouzakraoui, M. Hamidi, and M. Bouachrine Chin. Chem. Lett. 19 2008 123 126
11. P. Lère-Porte, J.J.E. Moreau, C. Torreilles, F. Serein-Spirau, A. Righi, J.L. Sauvajol, and M. Brunet J. Mater. Chem. 10 2000 927 932
12. M. Bouachrine, J.P. Lère-Porte, J.J.E. Moreau, F. Serein-Spirau, R.A. DaSilva, K. Lmimouni, L. Ouchani, and C. Dufour Synth. Met. 126 2002 241 244
13. T.A. Skotheim 1986 Dekker Marcel New York
14. S. Hotta, and S.A. Lee Synth. Met. 101 1999 551 552
15. M. Bouachrine, S. Bouzakraoui, M. Hamidi, S. Ayachi, K. Alimi, J.-P. Lère-Porte, and J. Moreau Synth. Met. 145 2004 237 243
16. R.A. Silva, F. Serein-Spirau, M. Bouachrine, J.-P. Lère-Porte, and J.J.E. Moreau J. Mater. Chem. 14 2004 3043 3050
17. L. Hegedus, B. Lipschutz, J. Marshall, E. Nakamura, E. Reetz, M. Semmelhak, K. Smith, and H. Yamoto Organometallics in Synthesis second ed. 2002 Wiley Germany (Chapter 5 and 10)
18. A. Pelter, I. Jenkins, and D.E. Jones Tetrahedron 53 1997 10357 10400
19. R.A. Silva, L.A. Cury, M.S. Mazzoni, E. Soares, P.S.S. Guimarães, F. Serein-Spirau, S. Lois, J. Moreau, and J.-P. Lère-Porte Macromol. Symp. 229 2005 194 196
20. X.M. Hong, E.H. Katz, J.L. Andrew, B.-C. Wang, and K. Raghavachari J. Chem. Mater. 13 2001 4686 4691
21. A. Fachetti, J. Letizia, M. Yoon, M. Mushorush, H.E. Katz, and T. Marks J. Chem. Mater. 16 2004 4715 4727
22. S.A. Lee, S. Hotta, and F. Nakanishi J. Phys. Chem. A 104 2000 1827 1833
23. H. Zgou, M. Hamidi, and M. Bouachrine J. Mol. Struct. THEOCHEM 814 2007 25 32
24. H. Zgou, M. Hamidi, J.P. Lère-Porte, F. Serein-Spirau, and M. Bouachrine Acta Phys. Chim. Sin. 24 2008 37 40
25. H. Weiss, S. Steiger, S. Jungling, A.V. Yakimansky, and A.H.E. Muller Macromolecules 36 2003 3374 3379
26. M. Mushrush, A. Facchetti, M. Lefenfeld, H.E. Katz, and T.J. Marks J. Am. Chem. Soc. 125 2003 9414 9423
27. X. Zhan, and D. Zhu Polym. Chem. 1 2010 409 419
28. J. Kulhánek, and F. Bureš Beilstein J. Org. Chem. 8 2012 25 49
29. M. Lu, Y. Zhu, K. Ma, L. Cao, and K. Wang Spectrochim Acta A 95 2012 128 134
30. Y. Li, L.Y. Zou, A.M. Ren, and J.K. Feng Comput. Theo. Chem. 981 2012 14 24
31. J.S. De Meloa, H.D. Burrows, M. Svensson, M.R. Andersson, and A.P. Monkman J. Chem. Phys. 118 2003 1550 1556
32. S. Scheinert, and W. Schliefke Synth. Met. 139 2003 501 509
33. U. Salzner, J.B. Lagowski, R.A. Poirier, and P.G. Pickup Synth. Met. 96 1998 177 189
34. R.G. Parr, and W. Yang 1989 Oxford University Press New York
35. C. Alemán, and J. Casanovas J. Phys. Chem. A 108 2004 1440 1447
36. L. Claes, S. Kwasniewski, M.S. Deleuze, and J.P. Françoise J. Mol. Struct. THEOCHEM 594 2001 63 67
37. W. Förner, and W. Utz J. Mol. Struct. THEOCHEM 618 2002 65 84
38. M. J. T. Frisch et al., GAUSSIAN 03, Gaussian Inc., Pittsburgh, PA, 2004.
39. A.D. Becke J. Chem. Phys. 98 1993 1372 1377
40. E. Runge, and E.K.U. Gross Phys. Rev. Lett. 52 1984 997 1000
41. M.E. Casida D.P. Chong, Recent Advances in Density Functional Methods (Part I) 1995 World Scientific Singapore 155
42. W. Koch, and M.C.A. Holthausen 2000 Wiley-VCH Weinheim, Germany
43. A. Broo, and M.C. Zerner Chem. Phys. Lett. 227 1994 551 556
44. L. Sun, F.Q. Bai, Z.X. Zhao, and H.X. Zhang Solar Energy Mater. Solar Cells 95 2011 1800 1810
45. S.I. Gorelsky, SWizard program, University of Ottawa, Ottawa, Canada, 2009. < http://www.sg-chem.net/ >
46. S.I. Gorelsky, and A.B.P. Lever Organometal. Chem. 635 2001 187 196
47. L. Yang, A.M. Ren, J.K. Feng, Y.G. Ma, M. Zhang, X.D. Liu, J.C. Shen, and H.X. Zhang J. Phys. Chem. 108 2004 6797 6808
48. J.J.P. Stewart, Computational Chemistry, Version 9.126 < http://OpenMOPAC.net >.
49. S. Ando, and M. Ueda Synth. Met. 129 2002 207 213
50. P. Leriche, M. Turbiez, V. Monroche, P. Frère, P. Blanchard, P.J. Skabara, and J. Roncali Tetra. Lett. 44 2003 649 652
51. M. Turbiez, P. Frère, M. Allain, C. Videlot, J. Ackermann, and J. Roncali Chem. Eur. J. 11 2005 3742 3752
52. C.L. Chochos, and S.A. Choulis Prog. Polym. Sci. 36 2011 1326 1414
53. L. Yang, J.-K. Feng, Y. Liao, and A.-M. Ren Polymer 46 2005 9955 9964
54. X.Q. Ran, J.K. Feng, A.M. Ren, W.Q. Tian, L.Y. Zou, Y.L. Liu, and C.C. Sun J. Phys. Org. Chem. 22 2009 680 690
55. H. Zgou, M. Hamidi, and M. Bouachrine J. Mol. Struct. THEOCHEM. 814 2007 25 32
56. S. Lois, S. Hotta, S.A. Lee, and T.J. Tamaki Heterocycl. Chem. 37 2000 443 456
57. S. Bouzakraoui, Si.M. Bouzzine, M. Bouachrine, and M. Hamidi J. Mol. Struct. THEOCHEM. 725 2005 39 44
58. A. Mabrouk, A. Azazi, and K. Alimi J. Phys. Chem. Solids 71 2010 1225 1235
59. F. Liu, P. Zuo, L. Meng, and S.J. Zheng J. Mol. Struct. THEOCHEM. 726 2005 161 169
60. S.A. Lee, S. Hotta, and F. Nakanishi J. Phys. Chem. A. 104 2000 1827 1833
61. F. Massuyeau, E. Faulques, S. Lefrant, M. Majdoub, M. Ghedira, K. Alimi, and J. Wéry J. Lumin. 131 2011 1541 1544
62. K. Fujimoto, H. Shimizu, M. Furusyo, S. Akiyama, M. Ishida, U. Furukawa, T. Yokoo, and M. Inouye Tetrahedron 65 2009 9357 9361
63. H. Bohlig, M. Ackermann, F. Billes, and M. Kudra Spectrochim Acta. Part A 55 1999 2635 2646
64. E. Koglin, E.G. Witte, and R.J. Meier Vib. Spectrosc. 33 2003 49 61
65. A. Mabrouk, K. Alimi, M. Hamidi, M. Bouachrine, and P. Molinie Polymer 46 2005 9928 9940