Experimental and theoretical characterization of a new synthesized extended viologen

[Display omitted] ► TD-DFT modeling of extended viologen. ► Electrochemical and spectroelectrochemical characterization. ► Theoretical and experimental comparisons. ► Molecular design of new electrochromic system. A new extended viologen, 4,4′-(2,2′-bithiophene-5,5′-diyl)bis(1-decylpyridinium) trifl...

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Bibliographic Details
Published in:Chemical physics letters 2012-11, Vol.552, p.141-145
Main Authors: Alberto, Marta Erminia, De Simone, Bruna Clara, Cospito, Sante, Imbardelli, Daniela, Veltri, Lucia, Chidichimo, Giuseppe, Russo, Nino
Format: Article
Language:English
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Summary:[Display omitted] ► TD-DFT modeling of extended viologen. ► Electrochemical and spectroelectrochemical characterization. ► Theoretical and experimental comparisons. ► Molecular design of new electrochromic system. A new extended viologen, 4,4′-(2,2′-bithiophene-5,5′-diyl)bis(1-decylpyridinium) triflimide (DTEV2+), has been synthesized and characterized at theoretical and experimental level. Electrochemical and spectroelectrochemical characterization show that this compound undergoes a two-electron reduction mechanism. Density functional computations give insights on the conformational properties of the different reduction species and allow the assignment of the absorption spectra. The agreement between calculated and experimental spectra is quite satisfactory.
ISSN:0009-2614
1873-4448
DOI:10.1016/j.cplett.2012.09.042