Abstract
The Laplacian of the charge density has been computed for the binuclear complex V 2(μ-η 2S 2) 2(S 2CH) 4. The inner-valence shell charge concentration of the vanadium atom exhibits four maxima. The Fermi hole distributions show the localized nature of the lone pairs of the ligand with a low penetration into the metal basin. The 3d electrons of vanadium also have a localized character. The Laplacian of the electron density as well as the Fermi hole distributions give support to the ligand field model for the metal-ligand interactions in organometallic chemistry.
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