Die experimentelle Bestimmung der Elektronendichteverteilung in einem Chrom-Carben- sowie einem Chrom-Carbin-Komplex / The Experimental Determination of the Electronic Deformation Densities in a Chromium Carbene and a Chromium Carbyne Complex
2014
Krüger, C. | Goddard, R. | Claus, K. H.
The electronic deformation densities for pentacarbonylmethylethoxycarbenechromium I and chlorotetracarbonylethylidynechromium II have been experimentally determined using Neutron (for I) and X-ray diffracted intensities measured from single crystals at 100 K. A build up of electron density in all bonds and around each chromium atom is observed. Deformation density maxima are directed along the 3-fold axes of the approx-imately octahedrally coordinated metal atoms and presumably represent occupation of the t₂g d-orbital set. The observed electron density distributions indicate that intermole-cular bonding has an important influence on the distribution of electron density in the molecules.
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