Hydrogen Bonding - New Insights (eBook)

PREFACE 6
COLOR PLATE SECTION 8
CONTENTS 19
CHAPTER 1 CHARACTERIZATION OF HYDROGEN BONDING: FROM VAN DER WAALS INTERACTIONS TO COVALENCY Unified picture of hydrogen bonding based on electron density topography analysis 21
CHAPTER 2 INTRAMOLECULAR HYDROGEN BONDS. METHODOLOGIES AND STRATEGIES FOR THEIR STRENGTH EVALUATION 71
CHAPTER 3 CHANGES OF ELECTRON PROPERTIES IN THE FORMATION OF HYDROGEN BONDS Spatial study of descriptors computed from the ab initio electron density and the electron localization function 128
CHAPTER 4 WEAK TO STRONG HYDROGEN BONDS 168
CHAPTER 5 THE NATURE OF THE C–H X INTERMOLECULAR INTERACTIONS IN MOLECULAR CRYSTALS. A THEORETICAL PERSPECTIVE 212
CHAPTER 6 WEAK HYDROGEN BONDS INVOLVING TRANSITION ELEMENTS 264
CHAPTER 7 CONTRIBUTION OF CH. . . X HYDROGEN BONDS TO BIOMOLECULAR STRUCTURE 282
CHAPTER 8 NEUTRAL BLUE-SHIFTING AND BLUE-SHIFTED 312
HYDROGEN BONDS 312
CHAPTER 9 HYDROGEN–HYDROGEN BONDING: THE NON- ELECTROSTATIC LIMIT OF CLOSED- SHELL INTERACTION BETWEEN TWO HYDROGEN ATOMS. A CRITICAL REVIEW 356
CHAPTER 10 POTENTIAL ENERGY SHAPE FOR THE PROTON MOTION IN HYDROGEN BONDS REFLECTED IN INFRARED AND NMR SPECTRA 395
CHAPTER 11 MOLECULAR GEOMETRY—DISTANT CONSEQUENCES OF H- BONDING 435
CHAPTER 12 TOPOLOGY OF X-RAY CHARGE DENSITY OF HYDROGEN BONDS 458
CHAPTER 13 STRUCTURE–PROPERTY RELATIONS FOR HYDROGEN- BONDED SOLIDS Specific Features of Hydrogen Bonds at Structural Transformations and in Polymorphs 488
CHAPTER 14 UNREVEALING THE NATURE OF HYDROGEN BONDS: p- ELECTRON DELOCALIZATION SHAPES H- BOND FEATURES Intramolecular and Intermolecular Resonance- Assisted Hydrogen Bonds 503