Electrochemistry and time dependent DFT study of a (vinylenedithio)-TTF derivative in different oxidation states

Yvonne Halpin, Martin Schulz, Andrew C. Brooks, Wesley R. Browne, John D. Wallis, Leticia Gonzalez Herrero, Peter Day, Johannes G. Vos (Korresp. Autor*in)

Veröffentlichungen: Beitrag in FachzeitschriftArtikelPeer Reviewed


The electrochemical and spectroelectrochemical properties of a bis-pyrid-4-yl functionalised vinylenedithio-TFF derivative, 1, in solution are reported. The compound was immobilised on a Pt electrode and the resulting layers formed were investigated using electrochemical techniques. Two oxidation processes were observed for 1, typical of TTF derivatives. A solvent dependence study revealed that the stabilisation of the radical cation intermediate, 1(center dot+), towards further oxidation is achieved in solvents with a low Gutmann donor number such as dichloromethane. Analysis of 1(2+) in solution under aerobic and anaerobic conditions reveal that its stability is compromised in the presence of oxygen and therefore the stability of monolayers of 1 is greatly enhanced under anaerobic conditions. Time dependent OFT calculations of the compound in several oxidation states are discussed to obtain information on the location of the various redox processes.
Seiten (von - bis)188-196
FachzeitschriftElectrochimica Acta
PublikationsstatusVeröffentlicht - 2013

ÖFOS 2012

  • 104005 Elektrochemie