The Jahn-Teller effect of the Ag2+ ion in aqueous solution: A hybrid ab initio quantum mechanical/molecular mechanical molecular dynamics simulation

The mean Ag2+-O distance of 2.27 Å represents the elongated 'axial' bonds, whereas the shorter 'equatorial' bonds result as 2.17 Å. The short-time distortions of [Ag(H2O)6]2+ are detected at around 2-3 ps. Three different pairs of opposite water molecules (a-b, c-d, and e-f) are clearly recognized to exhibit the fast dynamics of Jahn-Teller distortions for Ag2+.