Hexagonal Bipyramidal Mn 3 Ge 5 Cluster and Its One-Dimensional Ferrimagnetic Sandwich Nanowire: Mn 3 Ge 3 Rings as Structural Motifs.

Bipyramidal structures featuring planar rings serve as potential building blocks for one-dimensional (1D) nanostructures. Pure Ge atoms typically prefer to form three-dimensional rather than planar structures. Although a few-metal-doped bipyramids with pure Ge planar rings are predicted for constructing Ge-based 1D nanostructures, there is limited knowledge about those with both Ge and doped atoms on the same planar rings. Here, we report a hexagonal bipyramidal Mn 3 Ge 5 cluster containing a Mn 3 Ge 3 six-membered ring with the potential to construct a 1D germanium-based nanostructure. We investigated the structures and properties of Mn 3 Ge 5 -/0 using anion photoelectron spectroscopy and theoretical calculations. Mn 3 Ge 5 - has a C 3v symmetric distorted hexagonal bipyramidal structure, while Mn 3 Ge 5 has a C 2v symmetric hexagonal bipyramidal structure. Chemical bonding analyses show that Mn 3 Ge 5 - could be considered as a [Mn 3 ] V [Ge 5 ] 6- complex. First-principles calculations indicate that Mn 3 Ge 5 may be used to construct a 1D ferrimagnetic [Mn 3 Ge 5 ] ∞ nanostructure.