Author/Authors :
El Malki, Z. Moulay Ismaïl University - FST Errachidia - URMM/UCTA, Morocco , El Malki, Z. Moulay Ismaïl University - Faculty of the Science - LASMAR (URAC 11) Laboratory, Morocco , Bejjit, L. Moulay Ismaïl University - Faculty of the Science - LASMAR (URAC 11) Laboratory, Morocco , Haddad, M. Moulay Ismail University - Faculty of Sciences - Spectrometry Laboratory of Materials and Archeomaterials (LASMAR), Morocco , Hamidi, M. Moulay Ismaïl University - FST Errachidia - URMM/UCTA, Meknes , Hamidi, M. Moulay Ismaïl University - Polydisciplinaire Faculty, Errachidia, Morocco , Bouachrine, M. Sidi Mohamed Ben Abdellah University - Polydisciplinaire Faculty of Taza - UMIM, Morocco
Abstract :
In this paper we report on a combination of experimental and theoretical study of a new copolymer based on carbazole and methylthiophene (Cbz-Mth), in their neutral and oxidized states. We discuss the influence of chain length on conformational and optoelectronic properties with the DFT method. Conformational analysis shows that there are no big changes in the structural parameters of neutral oligomers. In the doped form, the oligomer structures become nearly planar and show a quinoidal character. The results obtained for (Cbz-Mth)3 from the neutral state, are close to experimental values.
Keywords :
(Cbz , Mth) oligomers , DFT , Conformational analysis , Optoelectronic properties , Polaronic and bipolaronic forms.
