Identification of Ge≡O Triple Bond in Ge6O- Cluster: Anion Photoelectron Spectroscopy and Theoretical Calculations.
J Phys Chem Lett
; 14(11): 2854-2861, 2023 Mar 23.
Article
de En
| MEDLINE
| ID: mdl-36917175
ABSTRACT
Unlike C≡O, which is common in coordination chemistry and organometallic chemistry, little is known about Si≡O or Ge≡O compounds. Here we report a Ge6O- cluster featuring a Ge≡O triple bond. The structural and chemical bonding properties of Ge6O-/0 are investigated using anion photoelectron spectroscopy and theoretical calculations. Two nearly degenerate isomers have been found for Ge6O-. The lowest-energy structure (6A) can be viewed as an O atom bonding with a tetragonal bipyramidal Ge6. The second one (6B) can be considered as an O atom interacting with a capped trigonal bipyramidal Ge6. Chemical bonding analyses reveal that Ge6O- (6A) can be viewed as a Ge≡O unit interacting with a σ antiaromatic C2v symmetric tetragonal pyramidal Ge53- moiety. Comparisons of the chemical bonding in Ge6O- (6A) with that in Ge5CO- and Ge5MnO- indicate the similar behavior of Ge≡O to C≡O and Mn≡O in its bonding to the Ge53- and Ge54- moieties.
Texte intégral:
1
Collection:
01-internacional
Base de données:
MEDLINE
Type d'étude:
Diagnostic_studies
Langue:
En
Journal:
J Phys Chem Lett
Année:
2023
Type de document:
Article
Pays d'affiliation:
Chine