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.

中文翻译：

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有机溶剂中的 CeF4 络合物

已经通过 19F NMR 和 IR 光谱研究了溶液中四氟化铈的第一个配合物。已经探索了 19F NMR 光谱的温度依赖性，并得出结论，分子加合物和单电荷离子形式（包括几何异构体）之间的动态平衡存在于溶液中。计算了形成方形反棱柱构型的 [CeF4(dmso)4] 立体异构体的统计概率，并根据 19F NMR 信号的相对强度将它们分配给可能的立体异构体。已经对 [CeF4(dmso)4] 分子加合物、[CeF3(dmso)5]+ 阳离子和 [CeF5(dmso)3]– 阴离子进行了其中一种可能异构体结构的量子化学计算，以显示它们的热力学稳定性。