Dedicated to Professor Gunther Wilke on the occasion of his 60th birthday By increasing the accuracy of an X-ray analysis, results are obtained which allow one to go beyond the location of hydrogen atoms and say something about the distribution of electrons in molecules. Using several examples from organic and organometallic chemistry, the methods, problems, and results of this approach are described.
Abstract 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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