Spherical Trihedral Metallo-Borospherene with Asymmetric Triangles in Boron Framework.

ABSTRACT: The recent discovery of spherical trihedral metallo-borospherenes Ln₃B₁₈^- (Ln = La, Tb) represents the onset of an unprecedented class of boron-metal binary nanomaterials, where heterogeneous La or Tb atoms, alongside B atoms, constitute integral components of the outer cage surface. Here, C_3v A₁-Sc₃B₁₆⁺ is theoretically predicted as the global minimum by the particle swarm optimization (PSO) algorithm, and its B₁₆-framework comprises unequal B₆ and B₇ triangles, connected by three B atoms between the vertexes of the B₆ triangle and the interval edges of the B₇ triangle. This arrangement forms three equivalent η⁷-B₇ ring

SUBMITTER: Xie Q 

PROVIDER: S-EPMC12655609 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature