On the hydration of the beryllium ion
In: Chemical Physics Letters, Jg. 161 (1989), Heft 4/5, S. 405 - 408
Titel:
On the hydration of the beryllium ion
Autor*in:
Probst, M. M.;Spohr, EckhardUDE
- GND
- 143257005
- LSF ID
- 49123
- ORCID
-
0000-0001-8148-7575
- Sonstiges
- der Hochschule zugeordnete*r Autor*in
Erscheinungsjahr:
1989
Erschienen in
Titel in Englisch (abgekürzt):
Chem. Phys. Lett.
Erscheinungsort:
Amsterdam
Verlag:
Elsevier
in:
Jg. 161 (1989), Heft 4/5, S. 405 - 408
ISSN
ISSN
ZDB ID
ZDB ID
Signatur der UB:
Abstract:
A molecular dynamics simulation of a 1.1 molal aqueous solution of BeCl2 with a newly developed three-body potential for the Be2+H2O interactions has been performed. A strongly pronounced first hydration shell has been found with a hydration number of four, in agreement with experimental data. The existence of a second hydration shell is demonstrated. The relationship between hydration number and ion size is discussed.