Author/Authors :
Serdar Durdagi، نويسنده , , Serdar and Hofer، نويسنده , , Thomas S. and Randolf، نويسنده , , Bernhard R. and Rode، نويسنده , , Bernd M.، نويسنده ,
Abstract :
A molecular dynamics simulation employing three-body corrected pair potentials to describe the ion–water interaction has been performed to investigate the structural and dynamical properties of Bi(III) in dilute aqueous solution. A first shell hydration complex forming a tri-capped trigonal prism was observed. The second shell consists in average of 21 water molecules, the mean ligand residence time of the second shell was evaluated as 8.5 ps.
