Investigation of the Structures and Chemical Bonding of Mn₂Ge₆^– and Mn₂Ge₇^– Clusters via Anion Photoelectron Spectroscopy and Theoretical Calculations

Abstract

We present joint anion photoelectron spectroscopy and theoretical studies for Mn2Ge6 – and Mn2Ge7 –. Experimental results show that Mn2Ge6 – and Mn2Ge7 – have vertical electron detachment energies of 2.58 ± 0.08 and 2.88 ± 0.08 eV, respectively. Both Mn2Ge6 – and Mn2Ge6 have Cs symmetric structures with a Mn atom attached to a pentagonal bipyramid MnGe6. Both Mn2Ge7 – and Mn2Ge7 have C 2v symmetric structures, which can be considered as two Mn2Ge4 tetragonal bipyramids sharing a MnGeMn face. According to chemical bonding analyses, Mn2Ge6 could be considered as a (MnII)(MnGe6 2–) complex. Theoretical calculations predict that the extension of Mn2Ge7 to Mn2n Ge4n+3 may be able to produce a new type of Mn-doped germanium nanostructure.

Anion Photoelectron Spectroscopy and Theoretical Studies of Ge3n+1O (n = 1–3) Clusters with the C3v Symmetric Ge3 Structural Unit

“…Previous studies show that doping other elements into semiconductor nanostructures not only can help obtain stable building blocks for nanomaterials but also can facilitate the control of their electronic properties. Several metal-doped silicon and germanium clusters have been found with the potential to construct silicon and germanium nanomaterials, such as VSi 12 , CoSi 12 , V 2 Si 20 , and Mn 2 Ge 7 . In addition, GeO 2 nanowires and nanofibers as well as GeO x nanowires are usually considered as model materials for nanoscale optical and memory devices. , In this work, the structures of Ge 4 O, Ge 7 O, and Ge 10 O could be obtained by inserting one, two, and three C 3v symmetric Ge 3 units into the diatomic GeO molecule, in which the Ge 3 units are antiparallel in Ge 7 O and Ge 10 O.…”

Hexagonal Bipyramidal Mn3Ge5 Cluster and Its One-Dimensional Ferrimagnetic Sandwich Nanowire: Mn3Ge3 Rings as Structural Motifs

“…In the last decades, the structures and properties of manganese–germanium clusters have aroused the research interests of both experimental and theoretical chemists. To date, most of the studies on the manganese–germanium clusters are focused on the germanium clusters doped with single and double Mn atoms. − As pure germanium tends to form three-dimensional structures through sp 3 hybridization, it is difficult for germanium to form planar rings. In Mn-doped germanium cluster systems, some bipyramidal structures featuring planar four- and five-membered rings have been identified, including MnGe 5 with a Ge 4 four-membered ring, MnGe 6 –/0 with Ge 5 five-membered rings, , MnGe 12 with two MnGe 6 pentagonal bipyramids containing two Ge 5 five-membered rings, Mn 2 Ge 4 – (C 2v , 10 A 2 ) with a Mn 2 Ge 2 four-membered ring, and Mn 2 Ge 5 (C 2v , 11 B 2 ) with a Mn 2 Ge 3 five-membered ring .…”