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Quantum-chemical analysis of fluorinated benzo-and naphthoquinones bearing nitronyl nitroxide function revealed that they upon one-electron reduction give triplet diradicals with the large gap of the tripletsinglet splitting (2J ≥ 430 cm -1 ) that comes from the non-disjoint nature of these diradicals.It was shown that the triplet-singlet splitting is highly sensitive to the number and arrangement of fluorine atoms in the quinone core.Therefore, it is aimed reasonable to synthesize the proposed triplet diradicals and to study the inherent magneto-structural correlations.It is a new synthetic challenge in the field of molecular magnetism.
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Tretyakov et al. (2018) studied this question.
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