The book begins with a summary of essential thermodynamic and kinetic facts, emphasizing aspects of these fields, where relevant, to reactions in solution. Chapter 2 introduces the reader to the role of the solvent purely as a medium, touching on early theories based on electrostatic considerations (Born and Kirkwood-Onsager) and the solubility parameter (Hildebrand). Chapter 3 discusses the role of solvent as an active participant, chiefly through hydrogen bonding, Bronsted-Lowry and Lewis acid-base interactions, including hard and soft acids and bases. The ability of solvents to serve as media for oxidation and reduction is also touched upon. There then follows a chapter on chemometrics; the application of statistical methods to chemical phenomena and spectra, chiefly linear free energy correlations and principal component analysis. A novel method for the presentation of data is also described.

This book introduces the concepts, theory and experimental knowledge concerning solvent effects on the rate and equilibrium of chemical reactions of all kinds. It begins with basic thermodynamics and kinetics, building on this foundation to demonstrate how a more detailed understanding of these effects may be used to aid in determination of reaction mechanisms, and to aid in planning syntheses. Consideration is given to theoretical calculations (quantum chemistry, molecular dynamics, etc.), to statistical methods (chemometrics), and to modern day concerns such as "green" chemistry, where utilization and disposal of chemical waste or by-products in an environmentally safe way is as important as achieving the desired end products by all chemists nowadays. The treatment progresses from elementary to advanced material in straightforward fashion. The more advanced topics are not developed in an overly rigorous way so that upper-level undergraduates, graduates, and newcomers to the field can grasp the concepts easily.

This book presents an up-to-date view of theories, practical methods and applications of solvent effects and chemical reactivity in condensed phases. Subjects treated include continuum solvation models, the theoretical basis for the treatment of solvent effects in density functional theory, Monte Carlo simulations of chemical reactions in solution, DFT molecular dynamics simulations, crossing the transition state in solution, valence bond multi-state approach to chemical reactions in solution, quantum theory of solvent effects and chemical reactions. The approaches taken as well as the resulting findings are discussed in detail, thus covering a large part of the methodology currently used in this field. Audience: This volume will be useful to graduate students in chemistry, physical chemistry and biochemistry, to research workers with a background in quantum chemistry and quantum mechanics, to pure and applied quantum chemists, and to industrial molecular modellers.

A comprehensive, extensive textual analysis of the principles of solvent selection and use, the handbook is intended to help formulators select ideal solvents, safety coordinators to protect workers, and legislators and inspectors to define and implement technically correct public safeguards for use, handling, and disposal.

This book is a hands-on guide for the organic chemist. Focusing on the most reliable and useful reactions, the chapter authors provide the information necessary for a chemist to strategically plan a synthesis, as well as repeat the procedures in the laboratory. Consolidates all the key advances/concepts in one book, covering the most important reactions in organic chemistry, including substitutions, additions, eliminations, rearrangements, oxidations, reductions Highlights the most important reactions, addressing basic principles, advantages/disadvantages of the methodology, mechanism, and techniques for achieving laboratory success Features new content on recent advances in CH activation, photoredox and electrochemistry, continuous chemistry, and application of biocatalysis in synthesis Revamps chapters to include new and additional examples of chemistry that have been demonstrated at a practical scale

In this second edition of a best-selling handbook all the chapters have been completely revised and updated, while four completely new chapters have been added. In order to meet the needs of the practitioner, emphasis is placed on describing precisely the technology and know-how involved. Adopting a didactic and comprehensible approach, the book guides the reader through theory and applications, thus ensuring its warm welcome among the scientific community. An excellent, essential and exhaustive overview.