Structure, bonding, reactivity and aromaticity of some selected Zn-clusters

Geometries of several all-metal clusters with Zn32− as the base are optimized within a B3LYP/6-311+G(d) level of theory. It is analyzed that the stability, bonding, reactivity and aromaticity patterns of such clusters often change drastically in the presence of counter cations like Li+, Na+ or K+ and/or through the substitution of Zn32− units by Be5− or C5H5− rings.