Preface
Chapter 1 BRIEF HISTORY
1.1.
Introduction
1.2.
Who Discovered the Hydrogen Bond and When?
1.3.
Books on Hydrogen Bonding
Chapter 2 NATURE AND PROPERTIES
2.1.
A Simple Criterion and Some Definitions
2.2.
Different Categories
2.3.
Insight from Theory
2.4.
Charge Density Studies
2.5.
Geometry in Crystals
2.6.
The Vibrational Properties
2.7.
Electrostatic Potentials
2.8.
Hydrogen Bond Lengths vs.
van der Waals Radii Sums
2.9.
What Makes the Hydrogen Bond Unique?
Chapter 3 STRONG HYDROGEN BONDS
3.1.
Introduction
3.2.
The Hydrogen Bifluoride Ion: a Prototype Strong Bond
3.3.
Other H- - -F Bonds
3.4.
O-H- - -O Bonds
3.5.
O-H- - -O Hydrogen Bonds
3.6.
The Hydrated Proton
3.7.
O-H- - -O Bonds
3.8.
N-H- - -N Bonds
3.9.
N-H- - -\N (O, ) Bonds
3.10.
Heteronuclear Bonds
Chapter 4 MODERATE HYDROGEN BONDS
4.1.
Introduction
4.2.
In Gas Phase Adducts
4.3.
Geometries from Crystal Structure Data
4.4.
Intramolecular Bonds
4.5.
Bond Acceptor Geometries
4.6.
Transition Metals as Hydrogen Bond Acceptors
Chapter 5 WEAK HYRDROGEN BONDS
5.1.
In Gas Phase Adducts
5.2.
C-H- - -B Bonds in Crystals
5.3.
C-F and C-Cl
as Acceptors
5.4.
Forced C-H- - -O and C-H- - -N Contacts
Chapter 6 COOPERATIVITY, PATTERNS, GRAPH SET THEORY, LIQUID CRYSTALS
6.1.
Cooperativity
6.2.
Resonance Assisted Bonding
6.3.
Polarization Enhanced Bonding
6.4.
Bond Patterns in Crystal Structures
6.5.
Use of Graph-Set Theory
6.6.
Use of Bond Patterns to Synthesize New Compounds
6.7.
Bonding in Liquid Crystals
Chapter 7 DISORDER, PROTON TRANSFER, ISOTOPE EFFECT, FERROELECTRICS, TRANSITIONS
7.1.
Hydrogen Bond Disorder
7.2.
Proton Transfer
7.3.
The Isotope Effect
7.4.
Transitions in Ferroelectrics
Chapter 8 WATER, WATER DIMERS, ICES, HYDRATES
8.1.
Water: The Mysterious Molecule
8.2.
The Water Dimer: a Theoretical Guinea Pig
8.3.
Polymorphism of Solid H2O
8.4.
Water Coordination in Hydrates
8.5.
Water in Molecular Recognition
Chapter 9 INCLUSION COMPOUNDS
9.1.
The Concept of Inclusion
9.2.
Clathrates
9.3.
The Clathrate Hydrates
9.4.
Hydrate Layer Compounds
9.5.
The Cyclodextrin Inclusion Compounds
Chapter 10 HYDROGEN BONDING IN BIOLOGICAL MOLECULES
10.1.
The Importance of Hydrogen Bonds
10.2.
In Protein Structures
10.3.
Low Barrier Hydrogen Bonds and Enzyme Catalysis
10.4.
Hydrogen Bonding in Nucleic Acid Structures
10.5.
In Polysaccharides
10.6.
Water in Biological Macrocmolecules
Chapter 11 METHODS
11.1.
Introduction
11.2.
Infrared and Raman Spectroscopy
11.3.
Gas-Phase Microwave Rotational Spectroscopy
11.4.
Neutron Inelastic Scattering
11.5.
NMR Spectroscopy
11.6.
Deuteron Quadrupole Coupling
11.7.
Diffraction Methods: Neutron and X-Ray
11.8.
Computational Chemistry
11.9.
Thermochemical Methods
APPENDIX I Structural Data Bases
APPENDIX II Effect of Thermal Motion on Observed Bond Lengths
APPENDIX III Distance Dependence of Energy Contributions
APPENDIX IV Some Useful Conversions
REFERENCES
INDEX
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