Theoretical Prediction of Divalent Actinide Borozene Complexes.

ABSTRACT: The aromatic boron cluster B₈^2- (D_7h) has similar π bonding to C₆H₆, which is named "borozene". The B₈^2- ligand has been observed to stabilize monovalent Ln(+I) in C_7v-LnB₈^- (Ln = La, Pr, Tb, Tm, and Yb) borozene complexes. Low-valency actinide complexes have been reported more rarely, and B₈^2- may be one of the potential ligands. Here, we report a theoretical study on a series of actinide metal-doping octa-boron clusters AnB₈ (An = Pa, U, Np, and Pu). It was found that each species has both half-sandwich and chair-like structures. Except for PaB₈, the half-sandwich structures of UB₈, NpB₈

SUBMITTER: Zhang N 

PROVIDER: S-EPMC11643500 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature