HYDROGEN-BONDING IN MIXED WATER TETRAMERS

Model calculations have been carried out to examine the structures and energetics of weakly bonded complexes of the form AB(3), A(2)B(2) and A(3)B, where A is water and B is from the set of hydrogen chloride, h ydrogen fluoride and acetylene. Selected larger clusters were also exa mined in order to discern patterns of aggregation. Electrostatic inter action is significant in every one of these clusters, but differences in molecular shape among even these small molecules are sufficient to bring about qualititative differences in tetramer structures.