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. 2021 Oct 15;143(42):17851–17856. doi: 10.1021/jacs.1c09467

Figure 2.

Figure 2

(a) QTAIM molecular graph of the BP86-optimized geometry of 9. The electron density contours are computed in the {Mg–N} planes with bond critical points (BCPs) shown as small green spheres. (b) Natural Localized Molecular Orbital of the Mg–Mg bond in 9.