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Keywords:

  • dicarbon;
  • N-heterocyclic carbenes;
  • phosphines;
  • super bases;
  • theoretical chemistry
Thumbnail image of graphical abstract

New C-based ligands? Inspired by recent work on main group allotropes, a theoretical examination of Lewis base (NHC, phosphine) stabilized dicarbon has been carried out. The results indicate that the phosphine and NHC adducts of C2 have significantly different electronic structures and that both types of molecules should be powerful, bifunctional carbon-based ligands.