The nature of the superoxide radical anion in water.
J Chem Phys
; 139(1): 014302, 2013 Jul 07.
Article
en En
| MEDLINE
| ID: mdl-23822298
Vibrational properties of the superoxide radical anion (O2(-â) in liquid water have been experimentally investigated for the first time. The stretching frequency, its shift from the gas-phase to aqueous solution, anharmonicity constant, and the Raman bandwidths provide an insight into the radical-water interactions and the hydration cage. In view of the spectroscopic information obtained in this work, the structural models based on molecular dynamics simulation in solution and gas-phase infrared studies of the water molecules bound to O2(-â) are critically examined.
Texto completo:
1
Colección:
01-internacional
Base de datos:
MEDLINE
Asunto principal:
Agua
/
Superóxidos
/
Simulación de Dinámica Molecular
/
Aniones
Idioma:
En
Revista:
J Chem Phys
Año:
2013
Tipo del documento:
Article
País de afiliación:
Estados Unidos
Pais de publicación:
Estados Unidos