Identification of hyperhalogens in Ag(n)(BO2)(m) (n = 1-3, m = 1-2) clusters: anion photoelectron spectroscopy and density functional calculations.
Phys Chem Chem Phys
; 16(47): 26067-74, 2014 Dec 21.
Article
em En
| MEDLINE
| ID: mdl-25361065
ABSTRACT
The electronic and structural properties of neutral and anionic Agn(BO2)m (n = 1-3, m = 1-2) clusters are investigated by using mass-selected anion photoelectron spectroscopy and density functional theory calculations. Agreement between the measured and calculated vertical detachment energies (VDEs) allows us to validate the equilibrium geometries of [Agn(BO2)m](-) clusters obtained from theory. The ground state structures of anionic Ag2(BO2) and Agn(BO2)2 (n = 1-3) clusters are found to be very different from those of their neutral counterparts. The structures of anionic clusters are chain-like while those of the neutral clusters are closed-rings. The presence of multiple isomers for [Ag2(BO2)2](-) and [Ag3(BO2)2](-) in the cluster beam has also been confirmed. Several of these clusters are found to be hyperhalogens.
Texto completo:
1
Base de dados:
MEDLINE
Tipo de estudo:
Diagnostic_studies
Idioma:
En
Revista:
Phys Chem Chem Phys
Assunto da revista:
BIOFISICA
/
QUIMICA
Ano de publicação:
2014
Tipo de documento:
Article
País de afiliação:
China