The intricate interactions between transition metals and ligands are at the heart of a wide variety of chemical, physical and biological phenomena. Understanding these interactions provides a challenge of the first order, cutting across many fields of modern science and impinging on numerous areas of application. The fascinating behavior of these systems has attracted the attention of experimentalists and theorists alike. In this book are collected the main lectures of the NATO ASI on "Metal-Ligand Interactions in Chemistry, Physics and Biology" held in Cetraro, Italy, in September, 1998. This event followed two previous NATO ASI held also in Cetraro in 1991 and 1994 dedicated to "Metal- Ligand Interactions: from Atoms, to Clusters, to Surfaces" and to "Metal- Ligand Interactions: Structure and Reactivity", respectively. The increasing number of participants (115) and of requests to attend (more than 400) confirms the importance and timeliness of this sequence of ASI's as well as the high level of interest for the themes treated. The lectures were organized on the basis of the following topics: -clusters and surfaces -catalysis -inorganic complexes -bioinorganic systems -new experimental techniques -theoretical methodologies and were given by well known leading experts such as: Ivano Bertini, David A. Case, Bernard Coq, Gernot Frenking, Hans J. Freund, Francesc Illas, Jacek Lipkowski, Julius Jellinek, Nino Russo, Dennis R. Vll viii Salahub, Karlheinz Schwarz, Friedrich Siebert, Benoit Simard, Edward I. Solomon and Michael Zemer.

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Springer Verlag GmbH
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InhaltsangabePreface. List of Contributors. The Use of the Electron-Nucleus Hyperfine Interaction for Solution Structure Determination; I. Bertini, et al. Modern Computational Approaches to Modeling Polynuclear Transition Metal Complexes; D.A. Case, et al. Metal-Support Interaction in Catalysis; B. Coq. Structure and Bonding of M(CO)5(H2O), M(CO)5(NH3) and M(CO)5(PH3) (M=Cr, Mo, W); G. Frenking, et al. Molecules on Clean and Modified Oxide Surfaces; H.-J. Freund, et al. Foundations of Ab Initio Theory and Applications to Chemisorption and Bulk Properties Using the Cluster Model Approach From qualitative understanding to quantitative predictions; F. Illas, et al. Spectroscopic and Electrochemical Studies of Coordination of Organic Molecules to Gold Single Crystal Surfaces; J. Lipkowski, et al. Ionic Adsorption and Co-Adsorption at Single Crystal Electrodes; J. Lipkowski, et al. Potential Energy Surfaces of Metal-Ligand Interactions Obtained Using Density Functional Theory; T. Marino, et al. Band Theory: from Concepts to the LAPW Method; K. Schwarz. Structures, Energetics, and Reactivity of Metal Clusters and Metal-Ligand Species in the Gas Phase. Review of Experimental Techniques and Future Directions; B. Simard, et al. Theoretical Investigations of Silver Clusters and Silver-Ligand Systems; S. Srinivas, et al. Ab Initio Investigations of Chemical Reactions Influenced by Transition Metal Catalysts; H. Bögel, et al. Concepts in Double Groups - Do we Really Understand them for Practical Applications? A pedagogical study; H.P. Fritzer. Fractal power Spectrum at Catalytic Oxidation of HCOOH over supported Pd Catalyst. Experiment and Theory; M.K. Koleva, et al. Reactions of Mo Atoms and Cations with NO: ADensity Functional Study; A.M. Köster, et al. In Situ Mössbauer Study of Mixed-Valency Catalysts for Methanol Oxidation; I. Mitov, et al. Gas Separation by Adsorption: Molecular Simulation of Adsorption Properties of Zeolitic Materials; P. Pullumbi, et al. Electronic Structure of Vanadia Systems: systematic Theoretical studies; M. Witko, et al. Index. List of Participants.