Solvent effects in chemistry / Erwin Buncel, Robert A. Stairs.

Format:

Book

Author/Creator:

Buncel, E., author.

Stairs, R. A. (Robert A.), author.

Language:

English

Subjects (All):

Solvation.

Chemical reactions.

Solvents.

Physical Description:

1 online resource (528 p.)

Edition:

Second edition.

Place of Publication:

Hoboken, New Jersey : Wiley, 2016.

Language Note:

English

Summary:

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 ut

Contents:

COVER; TABLE OF CONTENTS; TITLE PAGE; PREFACE TO THE SECOND EDITION; PREFACE TO THE FIRST EDITION; 1 PHYSICOCHEMICAL FOUNDATIONS; 1.1 GENERALITIES; 1.2 CLASSIFICATION OF SOLVENTS; 1.3 SOLVENTS IN THE WORKPLACE AND THE ENVIRONMENT; 1.4 SOME ESSENTIAL THERMODYNAMICS AND KINETICS: TENDENCY AND RATE; 1.5 EQUILIBRIUM CONSIDERATIONS; 1.6 THERMODYNAMIC TRANSFER FUNCTIONS; 1.7 KINETIC CONSIDERATIONS: COLLISION THEORY; 1.8 TRANSITION-STATE THEORY; 1.9 REACTIONS IN SOLUTION; 1.10 DIFFUSION-CONTROLLED REACTIONS; 1.11 REACTION IN SOLUTION AND THE TRANSITION-STATE THEORY; PROBLEMS; 2 UNREACTIVE SOLVENTS

2.1 INTERMOLECULAR POTENTIALS 2.2 ACTIVITY AND EQUILIBRIUM IN NONELECTROLYTE SOLUTIONS; 2.3 KINETIC SOLVENT EFFECTS; 2.4 SOLVENT POLARITY; 2.5 ELECTROSTATIC FORCES; 2.6 ELECTROLYTES IN SOLUTION; 2.7 SOLVATION; 2.8 SINGLE ION SOLVATION; 2.9 IONIC ASSOCIATION; 2.10 SOLVENT MIXTURES; 2.11 SALT EFFECTS; PROBLEMS; 3 REACTIVE SOLVENTS; 3.1 SPECIFIC SOLUTE/SOLVENT INTERACTIONS; 3.2 HYDROGEN BONDING; 3.3 ACIDS AND BASES IN SOLVENTS; 3.4 BRØNSTED-LOWRY ACIDS AND BASES; 3.5 ACIDITY FUNCTIONS; 3.6 ACIDS AND BASES IN KINETICS; 3.7 LEWIS ACIDS AND BASES; 3.8 HARD AND SOFT ACIDS AND BASES (HSAB)

3.9 SCALES OF HARDNESS OR SOFTNESS 3.10 ACIDS AND BASES IN REACTIVE APROTIC SOLVENTS; 3.11 EXTREMES OF ACIDITY AND BASICITY; 3.12 OXIDATION AND REDUCTION; 3.13 ACIDITY/REDOX DIAGRAMS; 3.14 UNIFICATION OF ACID-BASE AND REDOX CONCEPTS; PROBLEMS; 4 CHEMOMETRICS: SOLVENT EFFECTS AND STATISTICS; 4.1 LINEAR FREE ENERGY RELATIONSHIPS; 4.2 CORRELATIONS BETWEEN EMPIRICAL PARAMETERS AND OTHER MEASURABLE SOLVENT PROPERTIES; 4.3 REPRESENTATION OF CORRELATION DATA ON THE HEMISPHERE; 4.4 SOME PARTICULAR CASES; 4.5 ACIDITY AND BASICITY PARAMETERS; 4.6 BASE SOFTNESS PARAMETERS; 4.7 CONCLUSION

5 THEORIES OF SOLVENT EFFECTS 5.1 INTRODUCTION: MODELING; 5.2 QUANTUM-MECHANICAL METHODS; 5.3 STATISTICAL-MECHANICAL METHODS; 5.4 INTEGRAL EQUATION THEORIES; 5.5 SOLVATION CALCULATIONS; 5.6 SOME RESULTS; PROBLEMS; 6 DIPOLAR APROTIC SOLVENTS; 6.1 INTRODUCTION; 6.2 ACIDITIES IN DMSO AND THE H-SCALE IN DMSO-H2O MIXTURES; 6.3 USE OF THERMODYNAMIC TRANSFER FUNCTIONS; 6.4 CLASSIFICATION OF RATE PROFILE-MEDIUM EFFECT REACTION TYPES; 6.5 BIMOLECULAR NUCLEOPHILIC SUBSTITUTION; 6.6 PROTON TRANSFER; 6.7 D2-HO EXCHANGE; PROBLEMS; 7 EXAMPLES OF OTHER SOLVENT CLASSES; 7.1 INTRODUCTION; 7.2 ACIDIC SOLVENTS

7.3 BASIC SOLVENTS 7.4 CHIRAL SOLVENTS; 8 NEW SOLVENTS AND GREEN CHEMISTRY; 8.1 NEOTERIC SOLVENTS; 8.2 SUPERCRITICAL FLUIDS; 8.3 IONIC LIQUIDS; 8.4 LOW-TRANSITION-TEMPERATURE MIXTURES; 8.5 BIO-BASED SOLVENTS; 8.6 FLUOROUS SOLVENTS; 8.7 SWITCHABLE SOLVENTS; 8.8 GREEN SOLVENT CHEMISTRY; 9 CONCLUDING OBSERVATIONS; 9.1 CHOOSING A SOLVENT; 9.2 ENVOI; APPENDIX; ANSWERS; CHAPTER 1; CHAPTER 2; CHAPTER 3; CHAPTER 6; REFERENCES; INDEX; END USER LICENSE AGREEMENT

Notes:

Description based upon print version of record.

Includes bibliographical refererences and index.

Description based on print version record.

ISBN:

9781523110551

1523110554

9781119044291

1119044294

9781119044307

1119044308

9781119044192

1119044197

OCLC:

912237441