Hexagonal Bipyramidal Mn3Ge5Cluster and Its One-Dimensional Ferrimagnetic Sandwich Nanowire: Mn3Ge3Rings 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 Mn3Ge5cluster containing a Mn3Ge3six-membered ring with the potential to construct a 1D germanium-based nanostructure. We investigated the structures and properties of Mn3Ge5–/0using anion photoelectron spectroscopy and theoretical calculations. Mn3Ge5–has a C3vsymmetric distorted hexagonal bipyramidal structure, while Mn3Ge5has a C2vsymmetric hexagonal bipyramidal structure. Chemical bonding analyses show that Mn3Ge5–could be considered as a [Mn3]V[Ge5]6–complex. First-principles calculations indicate that Mn3Ge5may be used to construct a 1D ferrimagnetic [Mn3Ge5]∞nanostructure.