Metal Free Conducting PEDOS, PEDOT, and Their Analogues via an Unusual Bromine-Catalyzed Polymerization

Abstract

A new molecular Br2-catalyzed polymerization of 2,5-dibromo-3,4-ethylenedioxyselenophene (DBEDOS), 2,5-dibromo-3,4-ethylenedioxythiophene (DBEDOT), and their analogues, providing metal free and virtually defect free conducting polymers under mild reaction conditions. The resulting poly­(3,4-ethylenedioxyselenophene) (PEDOS), poly­(3,4-ethylenedioxythiophene) (PEDOT) and their analogues are electroactive, highly conducting and shown optoelectronic properties practically identical to electrochemically prepared insoluble thin films. This polymerization is a rare example of metal free polymerization which lead to the formation of conjugated polymer. Details characterizations of the obtained polymers were carried out and spectroelectrochemistry of PEDOS-C12 film obtained by Br2-catalyzed polymerization suggest higher conductivity and transparency compared to PEDOS-C12 film obtained by other methods.

Density Functional Theory Study of Selenium-Substituted Low-Bandgap Donor–Acceptor–Donor Polymer

“…16,[49][50][51][52] Our simulated results have also a nice correlation with the experimental data as can be seen from Table S4, so, that is why the current level of theory is employed for the rest of simulations.…”

Marriage of heavy main group elements with π-conjugated materials for optoelectronic applications

“…Notably, the related tellurophene analogue 206 was also prepared with a slightly red-shifted λ max (866 nm in solution and film) with a lower threshold voltage in TFTs of -8 V noted. 157 158 When R = H (207) the resulting insoluble black-colored polymer exhibited high levels of conductivity (2-4 S cm -1 ), suggesting in situ doping of the resulting materials by bromine. Placement of dodecyl groups on the selenophene ring structure yielded a blue soluble polymer upon exposure to Br 2 (208) with a number average molecular weight (M n ) of ca.…”

Soft‐template synthesis of high surface area mesoporous titanium dioxide for dye‐sensitized solar cells

“…The 84 atoms cluster of titanium dioxide ([TiO 2 ] 28 ) was used as a representative of the [101] surface of anatase, thereafter, the (TiO 2 ) 28 was denoted as TiO 2 . Hybrid functional such as B3LYP was applied because of its superiority over other functionals . In the case of intermolecular study, N719 was placed on the surface of TiO 2 , and then optimized at B3LYP functional with LanL2DZ basis set.…”