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Solvent Effects in Chemistry 2nd Edition by Erwin Buncel, Robert A Stairs ISBN 1119030986 9781119030980

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Solvent Effects in Chemistry 2nd Edition Erwin Buncel Digital Instant Download

Author(s): Erwin Buncel, Robert A. Stairs
ISBN(s): 9781119030980, 1119030986
Edition: 2
File Details: PDF, 6.04 MB
Year: 2015
Language: english
SKU: EB-5215916 Category: Tags: ,

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Product details: 

ISBN 10: 1119030986 

ISBN 13: 9781119030980

Author: Erwin Buncel, Robert A. Stairs

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.

Table of contents: 

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

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Erwin Buncel,Robert A Stairs,Solvent