Why do dipole moments of HCl-water clusters fail to determine acid dissociation?
Phys Chem Chem Phys
; 26(25): 17910-17917, 2024 Jun 26.
Article
en En
| MEDLINE
| ID: mdl-38888219
ABSTRACT
This paper quantitatively examines why dipole moments of HCl(H2O)n=1-8 cannot serve as the dissociation criterion for acid molecules using the Hirshfeld-I approach. Also, we propose the possible experimental parameter ãP(HCl)ã, whose statistical average enables the assessment of acid dissociation in mixed clusters. Furthermore, our calculations reveal that a minimum of four water molecules are necessary to dissociate an HCl molecule.
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1
Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
Phys Chem Chem Phys
Asunto de la revista:
BIOFISICA
/
QUIMICA
Año:
2024
Tipo del documento:
Article
País de afiliación:
China