Titlebook: Metal-Ligand Interactions: From Atoms, to Clusters, to Surfaces; Dennis R. Salahub,Nino Russo Book 1992 Springer Science+Business Media Do

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Linear Semibridging Carbonyls 5. The Structure and Bonding of the Chromium Cyclopentadienyl Dicarbooptimized structure of Cr(Cp)(Co).N has a “piano stool” geometry with a fragment moiety geometry nearly identical to the geometry of the fragment moiety in the dimer. Examination of x-ray and theoretical geometries of monomers with the fragment moiety bonded to a single ligand shows that the geometr

Anecdote

Carbon Dioxide Organometallic Chemistry: Theoretical Developments,bital arguments the various coordination mode of CO. to transition metal complexes. The activation of coordinated CO. and its subsequent reactivity is investigated. The insertion of CO2 into metal hydride and metal carbon bonds is then analyzed as an example of carbon dioxide reactivity towards orga

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Catalytic Reactions of Transition Metal Clusters and Surfaces From Ab-Initio Theory,here our ab-initio theoretical studies on the reactions of small metal clusters with a hydrogen molecule. The clusters investigated are palladium, platinum, and ZnO. We also invest gate the hydrogenation reaction of acetylene catalyzed by palladium. We study the energetics, mechanism, cluster-size d

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Reactivity and Eleclronic Structure of Organometallic Radicals,inatively unsaturated intermediates. Another class of reactions proceeds by associative attack of a ligand or nucleophile at the metal in an 18-electron complex, when the complex contains a ligand that can undergo a structural rearrangement to accept an electron pair to avoid a 20-electron intermedi

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Density Functional Model Calculations for Homogeneous and Heterogeneous Catalysis,re Potential-Local Spin Density (LCGTO-MCP-LSO) method are reported. Transition-metal carbene RhCH.. and RhCF.. ions and a carbon dioxide-transition metal complex (Ni(pH.).CO.) have been chosen as model systems for homogeneous catalysis while the interaction of hydrogen with palladium, rhodium and b

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