Giant Spin‐Orbit Effects on NMR Shifts in Diamagnetic Actinide Complexes: Guiding the Search of Uranium(VI) Hydride Complexes in the Correct Spectral Range

Looking in the right (NMR) ballpark: The 13C shifts of carbon atoms σ-bonded to uranium(VI) centers, and in particular the 1H shifts of UVI bound hydride ligands, are predicted to be at unprecedentedly high frequencies (see picture), as a result of unexpectedly large spin-orbit effects. Based on relativistic quantum-chemical calculations, the right spectral ranges are suggested, which may allow identification of such compounds. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.