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Top: Calculated structures of (DIPPBDI)Al(H)M(DIPPBDI) (M=Zn, Mg, Ca) at the ωB97XD/6‐311+G**//ωB97XD/6‐31+G** level; bond distances in Å and NPA charges shown in italic. The stability of the complexes decreases from M=Zn > Mg > Ca. Bottom: Contour plots of the Laplacian of the electron density (AIM); electron density in the bond‐critical‐point given in au.
