Quantum Theory Of The Chemical Bond

The present text is a rational analysis of the concept of the chemical bond by means of the principles of wave mechanics. The discussion of the material has been arranged so as to render its main content comprehensible for readers who may not have had pre"ious training in quantum mechanics. The text comprises three major parts. It begins with an exposition of the fundamental ideas. In this section the principles are reviewed from which de Broglie developed his mechanics; this allows the book to be read by chemistry majors and freshmen alike. However, we believe that it may also be of interest to university-and college teachers who must include certain aspects of quantum chemistry into their courses while being insufficiently familiar with the subject. It may even be of interest to science teachers in secondary schools. Finally, having been a witness to the evolution of these notions for over a quarter of a century, we present certain concepts from a particular point of view which might prove attractive to chemists of all kinds, perhaps even quantum chemists. The second, more technical part summarizes the methods of constructing wave functions that describe the electrons in molecules. This section can only be fully appreciated by those readers who are familiar with some aspects of the algorithms used in quantum mechanics.

The concept of a chemical bond evolved from a variety of experimental observations. It became useful to understand, at times even predict, the molecular structure, reactivity and mechanism of chemical reactions. Every aspect of the concept of bonding received a quantitative interpretation from the advent of quantum mechanics and its application to chemistry.In Lectures on Chemical Bonding and Quantum Chemistry the reader will find a comprehensive discourse on the basic interpretation of the chemical bond as well as current understanding in terms of a 'dancing' molecule that not only travels, rotates and pulsates around an equilibrium molecular structure, but also interacts and collides with other molecules, thereby transferring linear and angular momentum characteristics and adjusting total energies. One will also find a thorough survey of quantum mechanical methodologies for calculation of molecular characteristics in specific states and their changes under spectroscopic transitions, tunneling, electron and proton transfer phenomena, and so on. Guides to more advanced levels of theory are also provided.

Atomic physics and its underlying quantum theory are the point of departure for many modern areas of physics, astrophysics, chemistry, biology, and even electrical engineering. This textbook provides a careful and eminently readable introduction to the results and methods of empirical atomic physics. The student will acquire the tools of quantum physics and at the same time learn about the interplay between experiment and theory. A chapter on the quantum theory of the chemical bond provides the reader with an introduction to molecular physics. Plenty of problems are given to elucidate the material. The authors also discuss laser physics and nonlinear spectroscopy, incorporating latest experimental results and showing their relevance to basic research. Extra items in the second edition include solutions to the exercises, derivations of the relativistic Klein-Gordon and Dirac equations, a detailed theoretical derivation of the Lamb shift, a discussion of new developments in the spectroscopy of inner shells, and new applications of NMR spectroscopy, for instance tomography.

This book is a presentation of a qualitative theory of chemical bonding, stressing the physical processes which occur on bond formation. It differs from most (if not all) other books in that it does not seek to “rationalise” the phenomena of bonding by a series of mnemonic rules. A principal feature is a unified and consistent treatment across all types of bonding in organic, inorganic, and physical chemistry. Each chapter has an Assignment Section containing “problems” which might be usefully attempted to improve the understanding of the new material in that chapter. The new edition has had several appendices added which give support to concepts which, if included in the main text, would have hindered the main thrust of the presentation. These new appendices are an attempt to clarify oversights and errors which have been tacitly ignored and which have now become part of the conventional wisdom.

This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Throughout, the authors address a wide audience, such that this volume may equally be used as a textbook without compromising its research-oriented character. Clearly structured, the text begins with advances in theory before moving on to theoretical studies of chemical bonding and reactivity. There follow separate sections on solid state and surfaces as well as experimental electron densities, before finishing with applications in biological sciences and drug-design. The result is a must-have for physicochemists, chemists, physicists, spectroscopists and materials scientists.