Abstract
Quantum chemical calculations have been performed on B3 ring stabilized
Y-Y interaction (Y = Be, Mg, Ca) to understand the possibility of
binuclear sandwich type complex formation. Calculations indicate single
reference character of the studied systems. The complexes have been
found to be stable towards dissociation into different fragments.
Thermodynamic consideration also indicates the favourability of their
formation. Increase in aromaticity of the parent B3 ring upon
complexation is observed which is expected to provide extra stability to
the complexes.