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The first complexes of cerium tetrafluoride in solutions were investigated by 19 F NMR and IR spectroscopy. The temperature dependence of the 19 F NMR spectra was, studied and it was concluded that mobile equilibrium exists between the molecular adduct and singly charged ionic forms, including geometric isomers. The static probability of stereoisomer formation [CeF 4 (dmso) 4 ] was calculated using the square antiprism configuration and, based on the relative intensity of the 19 F NMR resonance signals, they were assigned to possible stereoisomers. Quantum-chemical calculations of the structure of the isomer [CeF 4 (dmso) 4 ], the isomer [CeF 3 (dmso) 5 ] + and [CeF 5 (dmso) 3 ] - , showing their thermodynamic stability, were performed.

The first complexes of cerium tetrafluoride in solutions have been studied by 19F NMR and IR spectroscopy. The temperature dependence of the 19F NMR spectra has been explored, and conclusion has been made that dynamic equilibrium between the molecular adduct and singly charged ionic forms, including geometric isomers, exists in solution. The statistical probability for the formation of [CeF4(dmso)4] stereoisomers of square antiprism configuration has been calculated, and their assignment to possible stereoisomers have been made on the basis of relative intensities of the 19F NMR signals. Quantum-chemical calculations of the structure of one of the possible isomers have been performed for the [CeF4(dmso)4] molecular adduct, [CeF3(dmso)5]+ cation, and [CeF5(dmso)3]– anion to show their thermodynamic stability.