Figure 7.

(Left) Thermal ellipsoid plot (50% probability level) for the solid-state structure of the two-electron mixed valence Mg porphyrinogen compound, [L^ΔMg(NCMe)]•CH₂Cl₂. (Middle) Computed frontier Kohn-Sham orbital diagram of the HOMO and LUMOs of [L^ΔMg(NCMe)] showing the localization of the electron density that gives rise to the ligand-to-ligand intravalence charge transfer transition (IVCT). (Right) UV-visible absorption spectra of [L^ΔMg] (—, red), [L^ΔZn] (– –, orange) and [L^ΔCa] (---, yellow) in CH₂Cl₂. Reproduced with permission from the Royal Society of Chemistry