New phenomena revealed by quantum chemical studies – the shellvation of GeH3+ by H2 molecules Original Research Article

The existence of GeH3+(H2)n species for n upto 11 is predicted. The formation of clusters is based on the consecutive filling of distinct shells. H2 molecules, members of the same shell, possess similar properties as is indicated by their predicted properties including dissociation energies, atomic charges, and vibrational frequencies. The energetically lowest shell is stabilized mainly by electron transfer. The importance of the dispersion forces increases for larger clusters, and these forces are the principal causes for the formation of the last (third) shell determined.