Tetranuclear Hydroxo Complexes of Rare-Earth Elements with the Cubane Core as Products of Self-Controlled Hydrolysis

Abstract Tetranuclear hydroxo complexes [La 4 (Deta) 4 (OH) 4 (Tfa) 3 (DetadcH) 2 ](HTfa)(H 2 O) 7 (Tfa) 3 ( I ) and [Nd 4 (Deta) 4 (OH) 4 (Tfa) 3 (DetadcH) 2 ](H 2 O) n (Tfa) 3 ( II ) with diethylene- N , N ′-dicarbamate anions (DetadcH – ) are synthesized for the first time by the reactions of lanthanum trifluoroacetate and neodymium trifluoroacetate with a solution of diethylenetriamine (Deta) in air under the self-controlled hydrolysis conditions and are characterized by X-ray diffraction, powder X-ray diffraction, IR spectroscopy, and elemental analysis. Compounds I and II contain the same-type complex cationic fragment with the cubane metal–oxygen core stabilized due to four chelate Deta ligands and two bridging DetadcH – ligands. The DFT calculations of the geometry and vibrational spectrum of the [La 4 (Deta) 4 (OH) 4 (Tfa) 3 (DetadcH) 2 ] 3+ complex cation are performed.