AbstractThe connectivities (hapticities) of asymmetric cyclopentadienyl zinc compounds are determined by theoretically obtained real‐space bonding descriptors. The methods employed herein include the determination of the number of virial paths and electron localizability indicator (ELI‐D) basins exhibited between the central Zn atom and the atoms of the ring system. Metal–ring interactions are characterized by flat electron densities and small density gradients, which are related to the high fluxionality of the rings. Due to this, the structures are topologically unstable and the conventional bond‐path analysis within the atoms in molecules (AIM) scheme, which in principle can also be applied for experimental electron densities reconstructed from high‐resolution X‐ray diffraction data, is not a reliable tool for the determination of the hapticity. As a consequence, the theoretical investigation of other real‐space bonding descriptors is the necessary primary step for discovering bonding modes that can be applied to molecular geometries obtained by subsequent experiments. By this procedure the common geometrical interpretation of connectivities, which is based on rather arbitrary de
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