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
em 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.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Phys Chem Chem Phys
Assunto da revista:
BIOFISICA
/
QUIMICA
Ano de publicação:
2024
Tipo de documento:
Article
País de afiliação:
China