New phenomena revealed by quantum chemical studies - the shellvation of GeH3+ by H-2 molecules

The existence of GeH3+(H-2)(n) species for n upto 11 is predicted. The form ation of clusters is based on the consecutive filling of distinct shells. H -2 molecules, members of the same shell, possess similar properties as is i ndicated by their predicted properties including dissociation energies, ato mic charges, and vibrational frequencies. The energetically lowest shell is stabilized mainly by electron transfer. The importance of the dispersion f orces increases for larger clusters, and these forces are the principal cau ses for the formation of the last (third) shell determined. (C) 2000 Elsevi er Science B.V. All rights reserved.