Spin-State-Switching Rearrangements of Bis(dioxolene)-Bridged CrCo Complexes: A DFT Study,European Journal of Inorganic Chemistry

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Spin-State-Switching Rearrangements of Bis(dioxolene)-Bridged CrCo Complexes: A DFT Study
European Journal of Inorganic Chemistry ( IF 2.2 ) Pub Date : 2021-09-10 , DOI: 10.1002/ejic.202100702
Andrey G. Starikov ₁ , Alyona A. Starikova ₂ , Maxim G. Chegerev ₁ , Sergey M. Aldoshin ₃ , Anatoly V. Metelitsa ₁ , Vladimir I. Minkin ₁

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Among a series of computationally investigated CrCo dinuclear compounds with redox-active bridging bis(dioxolenes) and ancillary tetradentate N-donor bases, the complexes prone to manifest spin-crossover or valence tautomerism have been revealed. Data obtained open possibilities for the targeted design of new systems – building blocks for molecular electronics devices.