Abstract

Abstract Extensively conjugated tetrathiafulvalene (TTF) derivatives substituted with a TTF-fused 1,4-dithiafulven-6-yl group 4 have been synthesized. Theoretical calculation and X-ray crystal structure analysis of 4a demonstrated that the conformation A, in which the two TTF units are linearly oriented, is slightly more stable than the conformation B, which adopted orthogonal arrangement of two TTF units in the neutral state. Cyclic voltammetry revealed the presence of the intramolecular 1,5-S···S interaction that brings about the stabilization of the conformation B in the tricationic state.

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