Abstract

The available relativistic calculations on f-element molecules are briefly reviewed. The role of the 6p semicore orbitals in the actinoids is underlined. In fact, the 6p hole in actinyls is suggested to give the main contribution to the actinoid nuclear quadrupole coupling in 234UO 2 2+ or 237NpO 2 2+. The 1 J(UF) spin-spin coupling constant in UF 6 is calculated to be small.

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