Gremillion Alexander J, Ross Jason, Yu Xiaojuan, Ishtaweera Piyuni, Anwander Reiner, Autschbach Jochen, Baker Gary A, Kelley Steven P, Walensky Justin R
Department of Chemistry, University of Missouri, Columbia, Missouri 65211, United States.
Department of Chemistry, University at Buffalo, State University of New York, Buffalo, New York 14260, United States.
Inorg Chem. 2024 May 27;63(21):9602-9609. doi: 10.1021/acs.inorgchem.3c04337. Epub 2024 Mar 20.
The synthesis, luminescence, and electrochemical properties of the Ce(III) compound, [(CMe)(2,6-PrCHO)Ce(THF)], , were investigated. Based on the electrochemical data, treatment of with CuX (X = Cl, Br, I) results in the formation of the corresponding Ce(IV) complexes, [(CMe)(2,6-PrCHO)Ce(X)]. Each complex has been characterized using NMR, IR, and UV-vis spectroscopy as well as structurally determined using X-ray crystallography. Additionally, the treatment of [(CMe)(2,6-PrCHO)Ce(Br)] with AgF results in the formation of the putative [(CMe)(2,6-PrCHO)Ce(F)]. The electronic structure of these Ce(IV)-X complexes was investigated by bond analyses and the Ce(IV)-F moiety using quantum chemistry NMR calculations.
研究了铈（III）化合物[(CMe)(2,6-PrCHO)Ce(THF)]的合成、发光和电化学性质。根据电化学数据，用CuX（X = Cl、Br、I）处理[(CMe)(2,6-PrCHO)Ce(THF)]会导致形成相应的铈（IV）配合物[(CMe)(2,6-PrCHO)Ce(X)]。每个配合物都通过核磁共振、红外和紫外可见光谱进行了表征，并通过X射线晶体学确定了其结构。此外，用AgF处理[(CMe)(2,6-PrCHO)Ce(Br)]会导致形成假定的[(CMe)(2,6-PrCHO)Ce(F)]。通过键分析和使用量子化学核磁共振计算对这些铈（IV）-X配合物的电子结构进行了研究。
