Picture of athlete cycling

Open Access research with a real impact on health...

The Strathprints institutional repository is a digital archive of University of Strathclyde's Open Access research outputs. Strathprints provides access to thousands of Open Access research papers by Strathclyde researchers, including by researchers from the Physical Activity for Health Group based within the School of Psychological Sciences & Health. Research here seeks to better understand how and why physical activity improves health, gain a better understanding of the amount, intensity, and type of physical activity needed for health benefits, and evaluate the effect of interventions to promote physical activity.

Explore open research content by Physical Activity for Health...

A new series of pi-extended tetrathiafulvalene derivatives incorporating fused furanodithiino and thienodithiino units: a joint experimental and theoretical study

Berridge, R. and Serebryakov, I.M. and Skabara, P.J. and Ortí, E. and Viruela, R. and Pou-Amerigo, R. and Coles, S.J. and Hursthouse, M.B. (2004) A new series of pi-extended tetrathiafulvalene derivatives incorporating fused furanodithiino and thienodithiino units: a joint experimental and theoretical study. Journal of Materials Chemistry, 14 (18). pp. 2822-2830. ISSN 0959-9428

Full text not available in this repository. Request a copy from the Strathclyde author

Abstract

A new family of tetrathiafulvalenes has been prepared. The materials exhibit complex redox behaviour related to the electronic influence of the 1,4-dithiin moieties embedded within the framework of the molecules. The X-ray crystal structure of compound 4 reveals an unusual non-planar conformation of the heterocyclic compound, with the TTF fragment adopting a boat conformation. Theoretical calculations, performed at the DFT level (B3P86/6-31G*), confirm the boatlike structure (C-2v symmetry) as the most stable conformation for this family of tetrathiafulvalenes. Upon oxidation, electrons are extracted from the whole molecule and the radical cations and dications remain highly distorted from planarity. For the dications, the 1,4-dithiin units present foldings of similar to40degrees suggesting the possibility of reaching higher oxidation states in agreement with experimental results. For the tetracations, both the TTF nucleus and the 1,4-dithiin units are singly-charged and become planar. The tetracations therefore present fully-planar, pi-delocalised structures and are stabilised by the gain of aromaticity of the TTF and 1,4-dithiin electron-donor units.