E-Book, Englisch, Band 3, 524 Seiten
Reihe: Challenges and Advances in Computational Chemistry and Physics
Grabowski Hydrogen Bonding - New Insights
1. Auflage 2006
ISBN: 978-1-4020-4853-1
Verlag: Springer Netherlands
Format: PDF
Kopierschutz: 1 - PDF Watermark
E-Book, Englisch, Band 3, 524 Seiten
Reihe: Challenges and Advances in Computational Chemistry and Physics
ISBN: 978-1-4020-4853-1
Verlag: Springer Netherlands
Format: PDF
Kopierschutz: 1 - PDF Watermark
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.
Autoren/Hrsg.
Weitere Infos & Material
1;PREFACE;6
2;COLOR PLATE SECTION;8
3;CONTENTS;19
4;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
5;CHAPTER 2 INTRAMOLECULAR HYDROGEN BONDS. METHODOLOGIES AND STRATEGIES FOR THEIR STRENGTH EVALUATION;71
6;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
7;CHAPTER 4 WEAK TO STRONG HYDROGEN BONDS;168
8;CHAPTER 5 THE NATURE OF THE C–H X INTERMOLECULAR INTERACTIONS IN MOLECULAR CRYSTALS. A THEORETICAL PERSPECTIVE;212
9;CHAPTER 6 WEAK HYDROGEN BONDS INVOLVING TRANSITION ELEMENTS;264
10;CHAPTER 7 CONTRIBUTION OF CH. . . X HYDROGEN BONDS TO BIOMOLECULAR STRUCTURE;282
11;CHAPTER 8 NEUTRAL BLUE-SHIFTING AND BLUE-SHIFTED;312
12;HYDROGEN BONDS;312
13;CHAPTER 9 HYDROGEN–HYDROGEN BONDING: THE NON- ELECTROSTATIC LIMIT OF CLOSED- SHELL INTERACTION BETWEEN TWO HYDROGEN ATOMS. A CRITICAL REVIEW;356
14;CHAPTER 10 POTENTIAL ENERGY SHAPE FOR THE PROTON MOTION IN HYDROGEN BONDS REFLECTED IN INFRARED AND NMR SPECTRA;395
15;CHAPTER 11 MOLECULAR GEOMETRY—DISTANT CONSEQUENCES OF H- BONDING;435
16;CHAPTER 12 TOPOLOGY OF X-RAY CHARGE DENSITY OF HYDROGEN BONDS;458
17;CHAPTER 13 STRUCTURE–PROPERTY RELATIONS FOR HYDROGEN- BONDED SOLIDS Specific Features of Hydrogen Bonds at Structural Transformations and in Polymorphs;488
18;CHAPTER 14 UNREVEALING THE NATURE OF HYDROGEN BONDS: p- ELECTRON DELOCALIZATION SHAPES H- BOND FEATURES Intramolecular and Intermolecular Resonance- Assisted Hydrogen Bonds;503
