Interactions of Water in Ionic and Nonionic Hydrates

There is no doubt about the importance of hydration in many areas of every day life, technology, biology, medicine, science etc. During the last years many investigations have been carried out upon problems of hydration and a large amount of experimental and theoretical data has been obtained by the application of different methods. One effi­ cient possibility to stimulate progress in scientific problems is to come together and discuss existing results and ideas. This was the aim of the 35th Bunsenkolloquium and a subsequent seminar held in Marburg, FRG from April 2 -4, 1987 with respect to the "Interaction of Water in Ionic and Nonionic Hydrates". The meeting was attended by more than one hundred participants from 25 countries. It will be seen from the content of the chapters in this book, which comprises the introductory papers and more or less extended abstracts of research seminars, that it was possible not only to stress the advantages and disadvantages of each method, but also to show how information gained by one method can complement the results of another one in order to increase our overall understanding of hydration pheno­ mena. The papers are divided into sections concerning the hydration of: ions, nonionic substances, biological and macromolecular substances, surfactants as well as a section containing methods, models and theo­ ries, which may stimulate investigations on hydrations.

Contenu

Hydration of Ions.- Interactions of Water in Ionic Hydrates.- The Determination of Vibrational Frequencies in H-Bonded Liquids from Molecular Dynamics Simulations.- A Model of Ion Hydration.- Infrared Spectroscopic Study on Anion-Hydration in CH2-Cl2.- Infrared Spectroscopic Study of the Strengthening of H-bonds in Aqueous Salt Solutions.- Infrared Studies of Ionic Hydration in Aqueous Solutions.- Interactions of Cations of the Mn(II) - Zn(II) Series with Water in Solutions: Isopiestic and Spectral Results.- Raman Spectroscopic Investigations Concerning the Solvation Behaviour of Aluminium Chloride in Mixed Solvents.- Dissociation Field Effect of MgSO4 Ion-Pair Hydrates.- Hydrogen Bonding and Dehydration in Selenate Hydrates.- Water Molecules in Solid Hydrates - Correlation of Spectroscopic and Crystallographic Data.- Stretching Frequency Versus Bond Distance Correlation of H-Bonds in Crystalline Hydrates: The Role of the Proton Acceptors.- Uncoupled HDO Modes Caused by Metal Guest Ions in Crystal Matrices.- Water in the Hydro-Sodalite System Na6+x, (AlSiO 4)6(OH)x ·nH2O with 0? x? 2 and 0? n? 8.- On the Interpretation of Isotope Effect in Mössbauer Spectroscopy.- Isotope Effects on Nuclear Shielding as a Means of Studying Solute-Solvent Interactions.- Molecular Reorientations and Local Structure in Nitrate Aqueous Solutions.- Hydration of Nonionic Substances.- Similarities and Differences in Ionic and Nonionic Hydrates.- Mixed Hydrogen Bond Chains.- Dilute Aqueous Solutions of Nonelectrolytes: Recent Advances.- Thermodynamics of DMSO Hydration.- NMR Relaxation in Clathrate-Hydrates.- NMR of Inert Gases in Aqueous Solutions.- Fluctuations of Thermodynamic Properties of Supercooled Liquid Water.- Ab Initio Calculations and Many Body Analysis of the Water Tetramer.- Hydration of Biological Macromolecular Substances.- Solvent Effects on the Structural Stability and Interactions of Globular Proteins: The Role of Cooperativity and Repulsive Restraints.- Exchange of the Structural Water and Molecular Dynamic in Collagen.- Hydration Effects on Photosynthetic Membranes and Proteins.- Photosynthesis: Dynamics of Proteins and Charge Transfer.- Infrared Spectroscopy of Hydration Effects in Photosynthetic Reaction Centers.- Intramolecular Protontransfers in Bacteriorhodopsin Monitored by Fourier Transform Infrared Difference Spectroscopy.- Hydration of Chlorophyll a.- The Reaction of NO and SO2 in the Presence of Water as a Possible Reason for the Destruction of Chlorophyll in the Wetterstein-Mountains (Bavaria).- A Simple Microwave Argument about the Changes of Structure of Water in Solutions of Macromolecules.- IR-Spectroscopic Studies on the Hydration of Polyglycolethers.- The Role of Ion Hydration in the Biological Effect of Alkali Cations.- Water Permeation Measured by Solvent Isotope Effects.- The Physical State and Energization of Biological Membranes Regulate Permeation of Water, Electrolytes and Non-Electrolytes.- Structure and Dynamics of one Dimensional Ionic Solutions in Narrow Transmembrane Channels - A Molecular Dynamics Simulation Study.- Computer Simulations of Water Interactions Near Single Crystal Surfaces.- Hydrogen Bond Connectivity of Water in Hydrophilic Confinements.- Water and Surfactants.- Water and Solvents on Surfaces Bristling with Alkyl Chains.- Hydrophile-Lipophile-Balance and Interfacial Tensions in Water-Hydrocarbon-Surfactant Systems.- Raman Spectroscopic Analysis of Surfactants in the Neat, Monomeric and Micellar Phases.- Effect of Temperature and Aprotic Solvents on the CMC of Sodium Dodecyl Sulphate.- Methods, Models and Theories.- Matrix Isolation Spectroscopy of Low Stoichiometry Complexes between Water and Sulfur Dioxide.- Infrared Photodissociation of the H2O:HI Complex Trapped in Solid Nitrogen. Comparison with the CH3CN:HI Complex.- Neutron Scattering and Infrared Spectroscopy of H2O Molecules Isolated in Diverse Cryogenic Matrices.- Ab Initio Studies of Complexes Formed by HF and HCL with H2O.- Frequency Shifts of Carbonyl Streching Bands Induced by Solvents.- Accessibility of the Lone Pair and Hydrogen Bonding Site in Biological Systems.- Infrared Spectroscopy - A Reliable Source of Information on Hydrogen Bonding?.- On a "Critical" Behaviour of Strong Hydrogen Bonds.- Does an OH or an OD Group Form the Strongest Hydrogen Bond to Oxygen?.- Phase Transition in Solid 2,3,3-Trimethylbutan-2-ol Hemihydrate (TMBH).- The Influence of the Structure of Water on Chemical Reactions.- Cartesian-Spherical Transformation Formalism and the Theoretical Insight into Many-Body Long-Range Forces of the Electrostatic Origin in Multimolecular Systems.- Authors Index.