Identification of GeâO Double Bonds in Planar MnGe3O and MnGe4O Clusters: Anion Photoelectron Spectroscopy and Ab Initio Calculations.
Inorg Chem
; 61(32): 12570-12576, 2022 Aug 15.
Article
en En
| MEDLINE
| ID: mdl-35913829
ABSTRACT
The structures, chemical bonding, and magnetic properties of MnGe3O-/0 and MnGe4O-/0 are investigated by photoelectron spectroscopy and ab initio calculations. The experimental vertical electron detachment energies of MnGe3O- and MnGe4O- are measured to be 2.06 ± 0.04 and 2.64 ± 0.04 eV, respectively. The structures of MnGe3O-/0 and MnGe4O-/0 can be viewed as evolved from quadrilateral MnGe3 or tetrahedral MnGe3. It is found that both MnGe3O- and MnGe3O have Cs symmetric planar structures with an O atom attached to quadrilateral MnGe3. The structure of MnGe4O- is nonplanar with an O atom and an additional Ge atom attached to tetrahedral MnGe3, while that of MnGe4O is planar with an O atom and an additional Ge atom attached to quadrilateral MnGe3. Chemical bonding analyses reveal the existence of GeâO double bonds in MnGe3O and MnGe4O. Magnetic property analyses suggest that MnGe3O and MnGe4O are ferromagnetic with total spin magnetic moments of 5 µB.
Texto completo:
1
Colección:
01-internacional
Banco de datos:
MEDLINE
Tipo de estudio:
Diagnostic_studies
Idioma:
En
Revista:
Inorg Chem
Año:
2022
Tipo del documento:
Article
País de afiliación:
China