E-resources
Peer reviewed
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Ryzhikov, Maxim R; Gayfulin, Yakov M; Ulantikov, Anton A; Arentov, Dmitry O; Kozlova, Svetlana G; Mironov, Yuri V
Molecules (Basel, Switzerland), 04/2023, Volume: 28, Issue: 9Journal Article
Understanding the processes that occur during the redox transformations of complexes coordinated by redox-active apical ligands is important for the design of electrochemically active compounds with functional properties. In this work, a detailed analysis of the interaction energy and electronic structure was performed for cluster complexes trans-Resub.6Ssub.8bipysub.4Clsub.2sup.n (n = 2–, 4–, 6–, 8–), which can be obtained by stepwise electrochemical reduction of a neutral cluster trans-Resub.6Ssub.8bipysub.4Clsub.2 in DMSO solution. It was shown that the formation of open-shell paramagnetic ions with S = 1, 2 and 1 is the most energetically favorable for n = 2–, 4– and 6–, respectively.
