Hydrogen Bonding - New Insights (eBook)

Slawomir Grabowski (Herausgeber)

eBook Download: PDF

2006 | 2006
XX, 524 Seiten
Springer Netherland (Verlag)
978-1-4020-4853-1 (ISBN)

Infos

This book uses examples from experimental studies to illustrate theoretical investigations, allowing greater understanding of hydrogen bonding phenomena. The most important topics in recent studies are covered. This volume is an invaluable resource that will be of particular interest to physical and theoretical chemists, spectroscopists, crystallographers and those involved with chemical physics.

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Hydrogen Bonding - New Insights is an extensive text which takes numerous examples from experimental studies and uses these to illustrate theoretical investigations to allow a greater understanding of hydrogen bonding phenomenon. The most important topics in recent studies are considered including: Intra-molecular H-bondsDifferences between H-bond and van der Waals interactions from one side and covalent bonds from the otherBader theory to analyze H-bondingInfluence of weak H-bonds upon structure and function of biological moleculesH-bonds in crystal structuresWith contributions from some of the foremost experts in this field this volume provides an invaluable resource for all members of the academic community looking for a comprehensive text on hydrogen bonding. It will be of particular interest to physical and theoretical chemists, spectroscopists, crystallographers and those involved with chemical physics.

Inhalt

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

Produkt-Details

• Erscheint lt. Verlag: 7.10.2006
• Reihe/Serie: Challenges and Advances in Computational Chemistry and Physics
• Reihe/Serie: Challenges and Advances in Computational Chemistry and Physics
• Zusatzinfo: XX, 524 p.
• Verlagsort: Dordrecht
• Sprache: englisch
• Themenwelt: Naturwissenschaften ► Chemie ► Anorganische Chemie
• Themenwelt: Naturwissenschaften ► Chemie ► Physikalische Chemie
• Themenwelt: Naturwissenschaften ► Physik / Astronomie ► Angewandte Physik
• Themenwelt: Technik ► Maschinenbau
• Schlagworte: Bader theory • chemical physics • crystallography • crystal structures • H-bonds • Hydrogen Bonding • Molecular Bonding
• ISBN-10: 1-4020-4853-X / 140204853X
• ISBN-13: 978-1-4020-4853-1 / 9781402048531