Monohydrated alkaline earth metal dications do exist

The potential energy surfaces for Be2+OH2 and Mg2+OH2 dications in the gas phase have been investigated at B3LYP and CCSD(T) levels of theory. Different dissociation channels have been taken into account. The results indicate that the monohydrated Be and Mg dications are thermodynamically and kinetically stable species and coulomb explosion is hindered by a barrier of 57–75 kcal/mol. The Be2+OH2 and Mg2+OH2 dications can dissociate to M+ and +OH2 if sufficient kinetic energy is given to the system.