Probst, M. M.; Spohr, Eckhard; Heinzinger, Karl:
On the hydration of the beryllium ion
1989
In: Chemical Physics Letters, Jg. 161 (1989), Heft 4/5, S. 405 - 408
Artikel/Aufsatz in Zeitschrift / Fach: Chemie
Fakultät für Chemie
Titel:
On the hydration of the beryllium ion
Autor(in):
Probst, M. M.; Spohr, Eckhard im Online-Personal- und -Vorlesungsverzeichnis LSF anzeigen; Heinzinger, Karl
Erscheinungsjahr
1989
Erschienen in:
Chemical Physics Letters, Jg. 161 (1989), Heft 4/5, S. 405 - 408
ISSN
Signatur der UB
WWW URL

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.