AnB ₈ ⁻: borozene complexes with monovalent actinide

Abstract

Monovalent actinide was theoretically predicted in AnB ₈ ⁻ borozene for early and late actinide species with σ and π double aromaticity.

Abstract

In light of recently reported monovalent lanthanide in borozene complexes LnB ₈ ⁻ (Ln = La, Pr, Tb, Tm, Yb), the corresponding AnB ₈ ⁻ (An = Ac, Pa, Bk, Md, No) actinide species within the same group were theoretically investigated in respect of oxidation state, stability, electronic structure and chemical bonding pattern. Our investigations reveal the feasibility of actinides, especially for the late actinide borozene compounds (BkB ₈ ⁻, MdB ₈ ⁻, NoB ₈ ⁻) adopting a monovalent oxidation state of +I, a phenomenon fine-tuned by the doubly aromatic borozene B ₈ ²⁻. Early actinides (AcB ₈ ⁻, PaB ₈ ⁻) however exhibit a tendency towards higher trivalent oxidation states.