International Series of Monographs on Chemistry – serie

This book places oxygen on the centre stage of chemistry in a manner that parallels the focus on carbon by 19th century chemists. One measure of the significance of oxygen chemistry is the greater diversity of oxygen-containing molecules than that of carbon-containing molecules. One of the most important compounds is water, containing the properties of being a unique medium for biological chemistry and life, the source of all the dioxygen in the atmosphere, and the moderator of the earth's climate.Sawyer first introduces the biological origins of dioxygen and role of dioxygen in aerobic biology and oxidative metabolism, and in separate chapters discusses the oxidation-reduction thermodynamics of oxygen species, and the nature of the bonding for oxygen in its compounds. Additional chapters focus on the reactivities of specific oxygen compounds.

A central core of theoretical and experimental physical chemistry is covered by this book, which looks at energy selected reactions. Three major aspects of unimolecular reactions are covered: the preparation of the reactants in selected energy states; the rate of dissipation of the activated molecule; and the partitioning of the excess energy among the final products. Theoretical and analytical chemists working in research laboratories will find the coverage of both theoretical and practical aspects of the topic invaluable for furthering their work.

This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the background material necessary beyond a knowledge of elementary quantum theory. The book is intended for physicists, chemists, and advanced students in chemistry.

Theory of Molecular Fluids I: Fundamentals

Existing texts on the statistical mechanics of liquids treat only spherical molecules. However, nearly all fluids of practical interest are composed of non-spherical molecules that are often dipolar or exhibit other kinds of electrostatic forces. This book describes the statistical mechanical theory of fluids of non-spherical molecules and its application to the calculation of physical properties, and is a sequel to Theory of Molecular Fluids. Volume 1: Fundamentals by C.G. Gray and K.E. Gubbins. The emphasis is on the new phenomena that arise due to the non-spherical nature of the intermolecular forces, such as new phase transitions, structural features and dielectric effects. It contains chapters on the thermodynamic properties of pure and mixed fluids, surface properties, X-ray and neutron diffraction structure factors, dielectric properties and spectroscopic properties. The book is aimed at beginning graduate students and research workers in chemistry, physics, materials science and engineering.

Most gases in nature are polyatomic, yet they are not considered in many textbooks of kinetic theory. In recent years they have been the subject of intensive research, and interesting results have been obtained which remain largely unknown. This book reviews the present state of knowledge of the kinetic theory of polyatomic gases, and is the first to provide a comprehensive account of both theoretical and experimental aspects of their behaviour.The first volume deals with dilute gases, in which boundary-layer effects can be neglected. Transport and relaxation phenomena such as heat conduction, diffusion, thermal diffusion, and viscous flow are considered from the point of view of kinetic theory. Special attention is paid to phenomena which do not occur in monatomic gases, including light scattering, nuclear spin relaxation, microwave absorption, and the effects of magnetic and electric fields on transport properties. Volume II begins by establishing the connections between molecular scattering theory and effective cross-sections in dilute gases,and then considers rarefied gases in detail.Detailed theoretical derivations are presented throughout the book, and experimental results and methods are documented in tables and figures. Introductory sections will be of use to graduates with a knowledge of elementary classical and quantum mechanics. The more specialized chapters are aimed at professionals who want information regarding the present state of the art in a particular field or who require data for various phenomena.

Nuclear magnetic resonance spectroscopy is one of the most powerful and versatile techniques now available for the study of molecular structure and reaction mechanisms. Written by recognised experts in the field, this classic account of modern NMR spectroscopy was heralded on its first publication in 1987 as "the lasting text of its age" Nature. Now available in paperback, it provides a thoroughly comprehensive review of modern NMR techniques and the underlying principles. It describes the study of solutions and solids using one- and two-dimensional spectroscpy, providing both a solid theoretical foundation and a description of practical procedures. The material is presented in an intuitive manner within a rigorous mathematical framework, and is extensively illustrated throughout.This important work was written at the ETH in Zurich, one of the world's leading institutions in advanced NMR methods, which has played a key role in the development of Fourier spectroscopy, two-dimensional spectroscopy, and Fourier-transform NMR imaging. Available in paperback for the first time, the book provides the definitive account of the field, and is without question "a must.....for every self-respecting NMR spectroscopist" Journal of Magnetic Resonance.

Available in paperback for the first time, this book describes the main methods of one- and two-dimensional high-resolution NMR spectroscopy in liquids within the quantum-mechanical formalism of the density matrix. In view of the increasing importance of NMR in chemistry and biochemistry, it is particularly addressed to those scientists who do not have a working knowledge of quantum calculations. This knowledge is provided in the first part of the book through a description of quantum mechanics as applied to spin systems: this description is both self-contained and limited to the essentials. A final chapter is devoted to the principles of relaxation theory.The book will endow the reader with enough practice in the theoretical tools of NMR to enable him to analyse critically comprehensive treatises or articles on new methods.

Scientists in many fields are now expressing considerable interest in non-linearity and the ideas of oscillations and chaos. Chemical reactions provide perfect examples of these phenomena since oscillating reactions, explosions, ignition, travelling waves, patterns, quasiperiodicity, and chaos are all features of chemical kinetics. This book introduces non-linear phenomena in chemical kinetics using simple model schemes. These models involve chemical feedback, such as chain branching, autocatalysis, and self-heating. The emphasis is on physical and pictorial representation, and on identifying those gross features which are essential. The experimental conditions under which such behaviour will occur can be predicted using simple mathematical recipes, and these are also included. The first part of the book begins with a discussion of long-lived oscillations for autocatalytic or exothermic reactions in closed vessels. Stationary states, bistability, and oscillations in continuous flow reactors and diffusion cells are then considered. This is followed by chemical wave propagation and by pattern selection and formation. Heterogeneous reactions are discussed, as they can also exhibit bistability and oscillations. Complex oscillations, quasiperiodicity, and chemical chaos, either forced or spontaneous, are introduced. Part 2 deals with real experimental systems, describing observed experimental behaviour and its interpretation in terms of the underlying chemical mechanisms or simplified models. The Belousov-Zhabotinskii reaction is discussed in some detail as the most extensively studied system, and the behaviour of important gas phase reactions is presented.

The molecular structure hypothesis - that a molecule is a collection of atoms linked by a network of bonds - was forged in the crucible of nineteenth-century experimental chemistry and has continued to serve as the principal means of ordering and classifying the observations of chemistry. There is a difficulty with the hypothesis, however, in that it is not related directly to the physics which governs the motions of the nuclei and electrons that make up the atoms and the bonds. It is the purpose of this important new book to show that a theory can be developed to underpin the molecular structure hypothesis - that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics, and that the structure their presence imparts to a molecule is indeed a consequence of the underlying physics. As a result the classification based upon the concept of atoms in molecules is freed from its empirical constraints and the full predictive power of quantum mechanics. As a result the full predictive power of quantum mechanics can be incorporated into the resulting theory - a theory of atoms in molecules. The book is aimed at those scientists responsible for performing the experiments and collecting the observations on the properties of matter at the atomic level, in the belief that the transformation of qualitative concepts into a quantitative theory will serve to deepen our understanding of chemistry.