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| - Experimental Electron Density in a Transition Metal Dimer: Metal−Metal and Metal−Ligand Bonds
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| - The accurate experimental electron density distribution of Co2(CO)6(AsPh3)2 has been determinedthrough X-ray diffraction at T = 123 K. Metal−metal and metal−ligand bonds have been investigated bymeans of deformation densities and the quantum theory of atoms in molecules. The “expected” lack of chargeaccumulation in the deformation density map is “contradicted” by the presence of a bond critical point and abond path line linking the two Cobalt atoms, in agreement with theoretical predictions on similar compounds.A careful analysis of the properties of ρ(r) at the bond critical points and of the Laplacian distribution alongthe bond paths has allowed the full characterization of all bonds in the title compound and, in particular, todiscard the apparently straightforward classification of Co−Co as a closed-shell interaction. The radial shapeof the atomic Laplacian makes (covalent or polar) shared interactions similar to donor−acceptor ones when atleast one “heavy atom” is concerned. Thus, even if it is possible to recognize the shared character of Co−Coand As−C bonds by comparison with the donor−acceptor C−Co and As−Co interactions, this distinction isgrounded on subtleties which could possibly not suffice without some a priori chemical insight.
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