Cover Feature: Synthesis and Characterization of Two Uranyl‐Aryl “Ate” Complexes (Chem. Eur. J. 19/2021)

The first structurally‐characterized uranyl aryl complexes are reported in this work. A combined 13C NMR spectroscopic and relativistic DFT computational analysis reveals that the chemical shifts of the aryl ipso carbon nuclei are shifted downfield by 62 to 68 ppm due to high levels of 5f orbital pa...

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Veröffentlicht in:Chemistry : a European journal 2021-04, Vol.27 (19), p.5833-5833
Hauptverfasser: Ordoñez, Osvaldo, Yu, Xiaojuan, Wu, Guang, Autschbach, Jochen, Hayton, Trevor W.
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Sprache:eng
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Zusammenfassung:The first structurally‐characterized uranyl aryl complexes are reported in this work. A combined 13C NMR spectroscopic and relativistic DFT computational analysis reveals that the chemical shifts of the aryl ipso carbon nuclei are shifted downfield by 62 to 68 ppm due to high levels of 5f orbital participation in the U−C bonds. Significantly, this study showcases the exquisite sensitivity of 13C chemical shifts to 5f participation in An−C bonding, further cementing the utility of this emerging method of analysis. More information can be found in the Communication by J. Autschbach, T. W. Hayton, et al. on page 5885.
ISSN:0947-6539
1521-3765
DOI:10.1002/chem.202100128