Magnetically bistable cobalt-dioxolene complexes with a tetradentate N-donor base
Maxim G. Chegerev, Денис В. Корчагин, G.V. Shilov, Nikolay N. Efimov, А. Г. Стариков, Alexandr V. Piskunov, Anatoly V. Chernyshev, Aleksei N. Bulgakov, Владимир И. Минкин, Andrei V. Palii, С. М. Алдошин
Abstract
= 175 K (36-DBSQ = radical-anionic semiquinonate form of the redox-ligand). In contrast, aerial oxidation of 1 is accompanied by changes in the structure of dioxolene resulting in oxocyclohexadienolate ligand and the formation of an ionic complex of high-spin divalent cobalt (3). Compounds 1a, 1b, and 3 are found to demonstrate a field-induced single-ion magnet behavior. The analysis of the electronic structures of 1, 2 and 3 with the aid of DFT and SA-CASSCF/NEVPT2 calculations is also given.
Topics & Concepts
ChemistryCrystallographyCobaltMagnetochemistryHexafluorophosphateLigand (biochemistry)DivalentDeprotonationIonic bondingValence (chemistry)Crystal structureStereochemistryInorganic chemistryIonIonic liquidOrganic chemistryCatalysisBiochemistryReceptorMagnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms