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

Metal-Ligand Interactions: From Atoms, to Clusters, to Surfaces
Author: Dennis R. Salahub
Publisher: Springer Science & Business Media
Total Pages: 428
Release: 2012-12-06
Genre: Science
ISBN: 9401128227

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.

Integrated Approach to Coordination Chemistry

Integrated Approach to Coordination Chemistry
Author: Rosemary A. Marusak
Publisher: John Wiley & Sons
Total Pages: 290
Release: 2007-03-30
Genre: Science
ISBN: 0470118431

Coordination chemistry is the study of compounds formed between metal ions and other neutral or negatively charged molecules. This book offers a series of investigative inorganic laboratories approached through systematic coordination chemistry. It not only highlights the key fundamental components of the coordination chemistry field, it also exemplifies the historical development of concepts in the field. In order to graduate as a chemistry major that fills the requirements of the American Chemical Society, a student needs to take a laboratory course in inorganic chemistry. Most professors who teach and inorganic chemistry laboratory prefer to emphasize coordination chemistry rather than attempting to cover all aspects of inorganic chemistry; because it keeps the students focused on a cohesive part of inorganic chemistry, which has applications in medicine, the environment, molecular biology, organic synthesis, and inorganic materials.

Calculation of NMR and EPR Parameters

Calculation of NMR and EPR Parameters
Author: Martin Kaupp
Publisher: John Wiley & Sons
Total Pages: 621
Release: 2006-03-06
Genre: Science
ISBN: 3527604960

This is the first book to present the necessary quantum chemical methods for both resonance types in one handy volume, emphasizing the crucial interrelation between NMR and EPR parameters from a computational and theoretical point of view. Here, readers are given a broad overview of all the pertinent topics, such as basic theory, methodic considerations, benchmark results and applications for both spectroscopy methods in such fields as biochemistry, bioinorganic chemistry as well as with different substance classes, including fullerenes, zeolites and transition metal compounds. The chapters have been written by leading experts in a given area, but with a wider audience in mind. The result is the standard reference on the topic, serving as a guide to the best computational methods for any given problem, and is thus an indispensable tool for scientists using quantum chemical calculations of NMR and EPR parameters. A must-have for all chemists, physicists, biologists and materials scientists who wish to augment their research by quantum chemical calculations of magnetic resonance data, but who are not necessarily specialists in these methods or their applications. Furthermore, specialists in one of the subdomains of this wide field will be grateful to find here an overview of what lies beyond their own area of focus.

Magnetic Properties of Rare Earth Metals

Magnetic Properties of Rare Earth Metals
Author: R. Elliott
Publisher: Springer Science & Business Media
Total Pages: 430
Release: 2013-06-29
Genre: Technology & Engineering
ISBN: 1475756917

The rare earths have a unique place among the elements. Although very much alike chemically and in most phy~ical properties they each have very different and striking magnetic properties. The reason, of course, lies in their 4f electrons which determine the magnetic properties but have little effect on other chemical and physical behaviour. Although they are not rare, some indeed are among the more common heavy elements in the earth's crust, the difficulty of separation has meant that their intricate magnetic properties have only recently been unravelled. Now, however, the general pattern of their magnetism is well charted and the underlying theory is well understood. Both are thoroughly summarised in this book. It provides an excellent example of the kind of extensive synthesis which is possible with modem solid state physics. it represents only a high plateau in the ascent to complete understanding. But It will become clear to the reader that while the overall position is satisfactory there are many details still to be elucidated experimentally and much to be done theoretically before all the underlying forces are identified and estimated from a priori calculations. It is hoped that the book will provide a useful stimulus in this direction. It should also be of use to those who are interested in related disciplines, for example the rare earth compounds, or the transition metals. In addition rare earths promise to be important technologically as alloy constituents.