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Keywords:

  • carbenes;
  • density functional calculations;
  • reactive intermediates;
  • uranium
Thumbnail image of graphical abstract

The ligand is the key: A DFT study of the formation of uranium(IV) formaldehyde through a transient uranium(IV) Schrock-type carbene intermediate shows the importance of the ligand in stabilizing the transition state of the carbene[BOND]oxygen coupling (see scheme).