Metal-Ligand Interactions: From Atoms, to Clusters, to Surfaces

ISBN-13: 9789401052542 / Angielski / Miękka / 2013 / 427 str.

Dennis R. Salahub;N. Russo

Opis

Metal-ligand interactions are currently being studied in different fields, from a variety of points of view, and recent progress has been substantial. Whole new classes of compounds and reactions have been found; an arsenal of physical methods has been developed; mechanistic detail can be ascertained to an increasingly minute degree; and the theory is being developed to handle systems of ever-growing complexity. As usual, such multidisciplinarity leads to great opportunities, coupled with great problems of communication between specialists.
It is in its promotion of interactions across these fields that Metal-Ligand Interactions: From Atoms, to Clusters, to Surfaces makes its timely contribution: the tools, both theoretical and experimental, are highly developed, and fundamental questions remain unanswered. The most fundamental of these concerns the nature of the microscopic interactions between metal atoms (clusters, surfaces) and ligands (atoms, molecules, absorbates, reagents, products) and the changes in these interactions during physical and chemical transformation.
In Metal-Ligand Interactions, leading experts discuss the following, vital aspects: ab initio theory, semi-empirical theory, density functional theory, complexes and clusters, surfaces, and catalysis.

Spis treści

Ligands On Clusters - Adsorbates On Surfaces.- The Chemistry of Transition Metal Clusters.- Surface Science Studies of Molecular Adsorbates on Solid Surfaces: A Series of Case Studies.- Concepts in Heterogeneous Catalysis.- Electronic Structure Theory for Transition Metal Systems: A Survey.- Selectivity in Catalysis by Metals and Alloys.- Metal-Co Interactions: Well-Defined Surfaces and Supported Particles.- Linear Semibridging Carbonyls 5. The Structure and Bonding of the Chromium Cyclopentadienyl Dicarbonyl Dimer.- Carbon Dioxide Organometallic Chemistry: Theoretical Developments.- Quantum Chemical Models of Chemisorprion on Metal Surfaces.- Catalytic Reactions of Transmon Metal Clusters and Surfaces From Ab-Initio Theory.- Reactivity and Eleclronic Structure of Organometallic Radicals.- Density Functional Theory - Principles and Applications to Metal-Ligand Interactions.- Density Functional Model Calculations for Homogeneous and Heterogeneous Catalysis.- A General Energy Decomposition Scheme for the Study of Metal-Ligand Interactions in Complexes, Clusters and Solids.- Physicochemical Characterization of Novel Polymeric Copper Complexes with Long-Chain Aliphatic Diamines.