Structure and Dynamics of Solutions (eBook)

H. Ohtaki, H. Yamatera (Herausgeber)

eBook Download: PDF

2013 | 1. Auflage
361 Seiten
Elsevier Science (Verlag)
978-1-4832-9142-0 (ISBN)

Infos

Recent advances in the study of structural and dynamic properties of solutions have provided a molecular picture of solute-solvent interactions. Although the study of thermodynamic as well as electronic properties of solutions have played a role in the development of research on the rate and mechanism of chemical reactions, such macroscopic and microscopic properties are insufficient for a deeper understanding of fast chemical and biological reactions. In order to fill the gap between the two extremes, it is necessary to know how molecules are arranged in solution and how they change their positions in both the short and long range. This book has been designed to meet these criteria.

It is possible to develop a sound microscopic picture for reaction dynamics in solution without molecular-level knowledge of how reacting ionic or neutral species are solvated and how rapidly the molecular environment is changing with time. A variety of actual examples is given as to how and when modern molecular approaches can be used to solve specific solution problems. The following tools are discussed: x-ray and neutron diffraction, EXAFS, and XANES, molecular dynamics and Monte Carlo computer simulations, Raman, infrared, NMR, fluorescence, and photoelectron emission spectroscopic methods, conductance and viscosity measurements, high pressure techniques, and statistical mechanics methods. Static and dynamic properties of ionic solvation, molecular solvation, ion-pair formation, ligand exchange reactions, and typical organic solvents are useful for bridging the gap between classical thermodynamic studies and modern single-molecule studies in the gas phase.

The book will be of interest to solution, physical, inorganic, analytical and structural chemists as well as to chemical kineticists.

Inhalt

Front Cover 1
Structure and Dynamics of Solutions 4
Copyright Page 5
Preface 8
List of Contributors 12
Table of Contents 14
Chapter 1. Introduction 18
Chapter 2. Structure of Solutions by Diffraction, EXAFS, and XANES Methods 22
2.1 Apparatus Used for X-Ray and Neutron Diffraction and for EXAFS and XANES Measurements 24
2.2 Structure of Liquids and Solutions by X-Ray and Neutron Diffraction 32
2.3 Structure of Solvated Ions and Metal Complexes in Solution Studied by the Diffraction Method 41
2.4 Structure of Metal Complexes in Solution by the EXAFS and XANES Methods 56
References 68
Chapter 3. Molecular Dynamics Simulations of Liquids and Solutions 74
3.1 Computer Experiments 75
3.2 Local Composition in Lennard-Jones Mixtures 87
3.3 Computer Simulations of Fluid Water and Its Liquid-Gas Interface with Carravetta-Clementi Potential 99
3.4 Hydration in Dilute Aqueous Solution of Nonelectrolytes 112
3.5 The Structure of Hydrated Ions in Aqueous Solutions as Studied by the Molecular Dynamics Simulations 122
3.6 Molecular Dynamics Studies on Electric Conductivity of Ionic 132
REFERENCES 146
Chapter 4. Dynamic Properties of Liquids and Solutions 150
4.1 Dynamic Properties of Ions in Solutions 153
4.2 Dynamics of Ions and Solvent Molecules in Solution —Nuclear Magnetic Relaxation Studies 166
4.3 Association of Alkylammonium Salts in Nonaqueous Solvents 180
4.4 Water and Metal Ions at Water-Amphiphile Interfaces 193
REFERENCES 206
Chapter 5. Effects of Pressure and Temperature 212
5.1 Pressure and Temperature Effects on Irreversible Processes in Solution 213
5.2 Some New Apparatus 235
5.3 Molecular Conformation in Solution 243
REFERENCES 252
Chapter 6. Ion-Ion and Ion-Solvent Interactions and Complex Formation in Solution 257
6.1 Solvent Properties and Reactions in Solution 257
6.2 Solute-Solvent Interactions of Metal Chelate Electrolytes 260
6.3 Reaction and Activation Volumes for Some Reactions Involving Metal Complexes in Solution 271
6.4 Ion-Triplets as the Precursor for Electron Transfer Reactions of Coordination Compounds 283
6.5 Mechanism of Sulfur-Inversion in Platinum(II)-Thioether Complexes Revisited 296
REFERENCES 308
Chapter 7. Energetic Aspects on Solute-Solvent Interactions 315
7.1 Thermodynamic Aspects of Complex Formation Reactions in Nonaqueous Solutions 316
7.2 Statistical Mechanical Approaches to the Structure and Thermodynamic Properties of Solutions 323
7.3 Electronic States of Ions and Molecules in Solution Studied by Photoelectron Emission Spectroscopy 337
REFERENCES 350
Concluding Remarks 353
Subject Index 356

Produkt-Details

• Erscheint lt. Verlag: 22.10.2013
• Sprache: englisch
• Themenwelt: Naturwissenschaften ► Chemie ► Physikalische Chemie
• Themenwelt: Naturwissenschaften ► Physik / Astronomie ► Strömungsmechanik
• Themenwelt: Technik
• ISBN-10: 1-4832-9142-1 / 1483291421
• ISBN-13: 978-1-4832-9142-0 / 9781483291420