Hydrogen Bond and the Water Molecule -  Yves Marechal

Hydrogen Bond and the Water Molecule (eBook)

The Physics and Chemistry of Water, Aqueous and Bio-Media
eBook Download: PDF
2006 | 1. Auflage
332 Seiten
Elsevier Science (Verlag)
978-0-08-046929-4 (ISBN)
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The Hydrogen Bond and the Water Molecule offers a synthesis of what is known and currently being researched on the topic of hydrogen bonds and water molecules. The most simple water molecular, H2O, is a fascinating but poorly understood molecule. Its unique ability to attract an exceptionally large number of hydrogen bonds induces the formation of a dense hydrogen bond network that has the potential to modify the properties of the surrounding molecules and their reactivities. The crucial role that water molecules play is described in this book. The author begins by providing an overview of the thermodynamical and structural properties of H-bonds before examining their much less known dynamical properties, which makes them appear as centres of reactivity. Methods used to observe these components are also reviewed. In the second part of the book the role played by the dense H-bond network developed by H2O molecules is examined. First in ice, where it has important atmospheric consequences, then in liquid water, and finally in macromolecules where it sheds some original light on the fundamental question How is it that without water and hydrogen bonds life would not exist?.
This book will be of interest to researchers in the fields of physics, chemistry, biochemistry and molecular biology. It can also serve as a teaching aid for students attending course in chemical physics, chemistry or molecular biology. Engineers involved the water industry would benefit from reading this book, as would scientists working in pharmaceutics, cosmetics and materials.

* overview of what is known and being researched on the topic of hydrogen bonds and water molecules
* reviews methods used to observe interactions between water molecules and hydrogen bonds
* examines role of H-bond network developed by H2O molecules
The Hydrogen Bond and the Water Molecule offers a synthesis of what is known and currently being researched on the topic of hydrogen bonds and water molecules. The most simple water molecular, H2O, is a fascinating but poorly understood molecule. Its unique ability to attract an exceptionally large number of hydrogen bonds induces the formation of a dense "e;hydrogen bond network"e; that has the potential to modify the properties of the surrounding molecules and their reactivities. The crucial role that water molecules play is described in this book. The author begins by providing an overview of the thermodynamical and structural properties of H-bonds before examining their much less known dynamical properties, which makes them appear as centres of reactivity. Methods used to observe these components are also reviewed. In the second part of the book the role played by the dense H-bond network developed by H2O molecules is examined. First in ice, where it has important atmospheric consequences, then in liquid water, and finally in macromolecules where it sheds some original light on the fundamental question "e;How is it that without water and hydrogen bonds life would not exist?"e;. This book will be of interest to researchers in the fields of physics, chemistry, biochemistry and molecular biology. It can also serve as a teaching aid for students attending course in chemical physics, chemistry or molecular biology. Engineers involved the water industry would benefit from reading this book, as would scientists working in pharmaceutics, cosmetics and materials.* overview of what is known and being researched on the topic of hydrogen bonds and water molecules* reviews methods used to observe interactions between water molecules and hydrogen bonds* examines role of H-bond network developed by H2O molecules

Cover 1
Copyright page 5
Contents 6
Acknowledgments 10
Preface 12
Part I: The Hydrogen Bond 16
Chapter 1. The Hydrogen Bond: Formation, Thermodynamic Properties, Classification 18
Chemical Bonds 18
Intermolecular Bonds 19
The H-Bond: Historical and Prospective Aspects, General Bibliography 22
Intermolecular and Intramolecular H-Bonds 24
Electronic Structures of Hydrogen Bonds 25
Thermodynamics of H-Bonds: Electronic and Vibrational Contributions to Enthalpies 27
Examples of Weak, Intermediate Strength and Strong H-Bonds 31
Nonconventional H-Bonds 34
H/D Substitutions in H-Bonds 36
Appendix: Energies and Related Quantities 37
References 38
Chapter 2. Geometrical Properties of H-Bonds and H-Bonded Organized Supramolecular Structures 40
Geometries of H-Bonds at Equilibrium 40
Organized Supramolecular Structures of Macromolecules 44
Conclusion 61
References 62
Chapter 3. Methods to Observe and Describe H-Bonds 64
Calorimetry 64
Modern Experimental Methods 66
Theoretical Descriptions of the Electronic Structures of H-Bonds 84
Summary 87
References 89
Chapter 4. Infrared and Related Spectroscopies of H-Bonded Systems: Experimental Point of View 92
IR Spectroscopy and H-Bond Vibrations 92
Intermonomer Vibrations in the FIR Region 93
Intramonomer Vibrations in the Mid-IR Region 99
Multiphoton Vibrational Spectroscopies: Raman and Nonlinear IR 120
Conclusion 125
References 126
Chapter 5. Infrared Spectroscopy of H-Bonded Systems: Theoretical Descriptions 130
Introduction 130
Integrated Intensities of .s Bands 130
.s Bandshapes of Isolated H-Bonds: Modulation by Intermonomer Modes 131
.s Bandshapes of Nonisolated H-Bonds 138
.s Bandshapes of H-Bonds: Fermi Resonances 139
Conclusion on .s Bands 143
Appendix: IR Spectroscopy 143
References 159
Chapter 6. Reactivity of Hydrogen Bonds: Transfers of Protons and of H-Atoms 162
Great Amplitude Motions in Isolated H-Bonds 162
Proton Transfers in an H-Bond Network 165
Proton Transfers in the Electronic Excited State 171
H-Bonded Ferroelectrics 179
Hydrogen Atom Transfers by Tautomerism 181
Conclusion 185
References 186
Chapter 7. H/D Isotopic Substitution in H-Bonds 188
The H and D Atoms: Similarities and Differences 188
Geometries and Thermodynamics of H-Bonds and D-Bonds 189
Dynamic Properties of H-Bonds and D-Bonds 193
H-Bonds and D-Bonds as seen by Methods Sensitive to Nuclear Spins 200
Conclusion 201
Appendix 202
References 205
Part II: The Water Molecule 208
Chapter 8. The H2O Molecule in Water Vapour and Ice 210
H2O: An Exceptional Molecule 210
Water Vapour 212
Ice (s) 214
Conclusion 226
References 227
Chapter 9. The H2O Molecule in Liquid Water 230
H-Bonds in Liquid Water 230
The Exceptional Properties of Liquid Water 239
Our Understanding of Liquid Water 257
Conclusion 260
References 262
Chapter 10. The Water Molecule in (Bio)Macromolecules 264
Water Molecules and their Dense Hydrogen Bond Networks 264
Arrangements of Water Molecules in Macromolecules 266
Reactivity of Water Molecules in Macromolecules 283
Conclusion 288
References 290
Chapter 11. Observing the Water Molecule 292
A Difficult-To-Observe Molecule 292
Global Methods 293
Classical Molecular Methods other than Vibrational Spectroscopy 294
Vibrational Spectroscopy 300
Conclusion 316
References 317
Part III: General Conclusion 320
Chapter 12. Conclusion: H-Bond,Water Molecule and Life 322
Index 326

Erscheint lt. Verlag 11.12.2006
Sprache englisch
Themenwelt Naturwissenschaften Biologie
Naturwissenschaften Chemie Analytische Chemie
Naturwissenschaften Chemie Anorganische Chemie
Naturwissenschaften Chemie Physikalische Chemie
Naturwissenschaften Physik / Astronomie
Technik
ISBN-10 0-08-046929-9 / 0080469299
ISBN-13 978-0-08-046929-4 / 9780080469294
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