Title of article
Correlation structure–properties of poly(3-methyl-thiophene) (P3MTh) synthesized using TiCl4 as an oxidant
Author/Authors
Khalifa، نويسنده , , I. Ben and Ayachi، نويسنده , , S. and Zaidi، نويسنده , , B. and Bouachrine، نويسنده , , M. El Mabrouk، نويسنده , , Abdel Kawi A. Al-Alimi، نويسنده , , K.، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 2012
Pages
7
From page
1724
To page
1730
Abstract
Poly(3-methyl-thiophene) (P3MTh) is synthesized via oxidative coupling of the basic monomer using TiCl4 as oxidant in chloroform medium. Experimental analyses (infrared, optical absorption measurements and thermal analysis) are combined with theoretical calculations, based on Density Functional Theory (DFT), not only to confirm the polymer formation but also to predict the final structure of the resulting compound. Furthermore, the relationship between structure–property is carried out.
Keywords
Infrared , spin density , Electronic structure , Thiophene , Force constants
Journal title
Synthetic Metals
Serial Year
2012
Journal title
Synthetic Metals
Record number
2089384
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