Novel multistage redox TTFs bearing 6-aryl-1,4-dithiafulvene moieties were synthesized by using the palladium-catalyzed direct C-H arylation. In the presence of a catalytic amount of Pd(OAc)2, PtBu3•HBF4, and excess amount of Cs2CO3, the C-H arylation of TTF with several aryl bromides bearing 1,3-dithiol-2-ylidenes took place efficiently to produce the corresponding p-conjugation molecules. We also succeeded in estimation of the oxidation potentials and number of electrons involved in each oxidation step of the obtained compounds by the digital simulations.
Keywords: tetrathiafulvalene; extended π-conjugation; cross-conjugated systems; electrochemical properties; digital simulation analysis
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Yoshimura, A.; Kimura, H.; Kagawa, K.; Yoshioka, M.; Itou, T.; Vasu, D.; Shirahata, T.; Yorimitsu, H.; Misaki, Y. Beilstein Arch. 2020, 202016. doi:10.3762/bxiv.2020.16.v1
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