Abstract
The synthesis, X-ray structure, and predicted redox-induced conformational
dynamics of a thiophene-fused [12]annulene is
reported. Regiospecific halogenation of the thiophene ring system and
transition-metal catalyzed cross-couplings are key elements in the
synthetic strategy. It is predicted (B3LYP/6-31G*)
that redox-induced conformational changes yield significant dimensional changes
in this annulene, thus establishing it as a candidate for single
molecule actuation.
Key words
annulenes - thiophene - cross-coupling - actuators - macrocycles
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