Solvent Effects in Chemistry

Solvent Effects in Chemistry
Author: Erwin Buncel
Publisher: John Wiley & Sons
Total Pages: 241
Release: 2015-08-03
Genre: Technology & Engineering
ISBN: 1119030986

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.

The Role of the Solvent in Chemical Reactions

The Role of the Solvent in Chemical Reactions
Author: E. Buncel
Publisher: Oxford : Oxford University Press
Total Pages: 159
Release: 2003
Genre: Science
ISBN: 9780198511007

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.

Solvent Effects in Chemistry

Solvent Effects in Chemistry
Author: Erwin Buncel
Publisher: John Wiley & Sons
Total Pages: 244
Release: 2015-06-23
Genre: Technology & Engineering
ISBN: 1119044197

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.

Solvent Effects and Chemical Reactivity

Solvent Effects and Chemical Reactivity
Author: Orlando Tapia
Publisher: Springer Science & Business Media
Total Pages: 396
Release: 2003-07-31
Genre: Science
ISBN: 9781402004179

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.

Handbook of Solvents

Handbook of Solvents
Author: George Wypych
Publisher: ChemTec Publishing
Total Pages: 1446
Release: 2001
Genre: Science
ISBN: 1895198240

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.

Solvent-free Organic Synthesis

Solvent-free Organic Synthesis
Author: Koichi Tanaka
Publisher: John Wiley & Sons
Total Pages: 468
Release: 2008-12-17
Genre: Science
ISBN: 3527626425

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.

Practical Synthetic Organic Chemistry

Practical Synthetic Organic Chemistry
Author: Stéphane Caron
Publisher: John Wiley & Sons
Total Pages: 850
Release: 2020-02-05
Genre: Science
ISBN: 1119448859

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

Biphasic Chemistry and The Solvent Case

Biphasic Chemistry and The Solvent Case
Author: Jean-Philippe Goddard
Publisher: John Wiley & Sons
Total Pages: 167
Release: 2020-01-09
Genre: Science
ISBN: 111969504X

Biphasic Chemistry and The Solvent Case examines recent improvements in reaction conditions, in order to affirm the role of chemistry in the sustainable field. This book shows that those who work within the chemistry industry support limits for the use of toxic or flammable solvents, since it reduces the purifications to simple filtrations. Thanks to commercial scavengers, solid phase syntheses are now available to all. Fluorine biphasic catalysis enables extremely efficient catalyst recycling and has a high applicability potential at the industrial level. This book also reviews the many studies that have shown that water is a solvent of choice for most synthetic reactions. Particular traits can be obtained and the effects on thermodynamics make it possible to operate at lower temperatures, thereby achieving energy savings. Finally the great diversity of application of the reactions without solvents is illustrated.

Organic Solid-State Reactions

Organic Solid-State Reactions
Author: Fumio Toda
Publisher: Springer Science & Business Media
Total Pages: 279
Release: 2013-03-14
Genre: Science
ISBN: 9401700893

Most organic reactions have long been carried out in organic solvents without concern for their real necessity, reaction efficiency, and pollution problems. Very recently, we have found that most organic reactions can be carried out in the absence of a solvent, namely, in the solid state. In many cases, the solid-state reaction proceeds more easily and efficiently, and even more selectively than solution reaction. This shows that molecules move easily and selectively in the solid state. This finding changed the classical idea which suggests "molecules do not move and reactions do not occur in the solid state", and opened up a new research field for the study molecular dynamics in the solid state. The organic solid state reactions have many possibilities to be developed. For example, enantioselective reactions can easily be accomplished by carrying out the reaction in an inclusion complex crystal with an optically active host compound. Catalytic reactions also proceed in the solid state. Moreover, the solid-state reactions are more economical and ecologically sound. In the future, pollution-free synthetic procedures in the solid state will become increasingly important, not only in chemical industries but also in university laboratories.