Electron Localisation in Ga‐Heterocyclic Compounds

The present study shows that a successful description of the electron density in a Ga‐containing compound using the present multipole model requires separation and independent radial scaling of the three Ga core shells. It is also shown that two similar compounds only differing in the oxidation state of the Ga atom provides similar residual density maps and thus the deficiencies in the standard multipole model are very similar in the two cases....