Zeolite Characterization and Catalysis (eBook)

The Authors are eminent and highly respected in the field of zeolites and molecular sieves. Dr. Derouane has an international reputation for excellence in research of zeolites. Dr. Chester has over 60 US patents in the area and has practised all aspects of zeolite science industrially for at least 30 years.

Preface 5
A Brief Introduction to Zeolites 6
Contents 16
Contributors 17
1 Powder Diffraction in Zeolite Science 19
1.1 Introduction 19
1.2 Lattice Spacings, Unit Cells, Crystal Symmetry, and Space Groups 21
1.3 Fundamentals of Diffraction and Reciprocal Space 22
1.4 Single Crystal Diffraction 26
1.5 Intensity From Diffraction 27
1.6 X-Ray Diffraction 33
1.7 Neutron Diffraction 37
1.8 Powder Diffraction 39
1.9 Systematic Absences in Diffraction Patterns 43
1.10 Phase Identification, Unit Cell Refinement, and Lattice Substitution 44
1.11 Factors Affecting Peak Profiles in Powder Diffraction 49
1.12 Absorption 58
1.13 Preferred Orientation and Graininess 60
1.14 Structure Determination 63
1.15 Diffuse Scattering from Materials with One-Dimensional Planar Disorder 75
References 80
2 Solid-State NMR Spectroscopy 83
Abbreviations 83
2.1 Introduction 84
2.2 Fundamentals of Solid-State NMR Spectroscopy 86
2.3 Solid-State NMR Techniques 89
2.4 Investigation of the Zeolite Framework 96
2.5 Investigation of Extra-Framework Cations 102
2.6 Investigation of Surface OH Groups 105
2.7 Investigation of Surface Sites by Probe Molecules 109
References 115
3 Determination of Acid/Base Properties by Temperature Programmed Desorption ( TPD) and Adsorption Calorimetry 124
3.1 Introduction 124
3.2 Experimental Techniques 126
3.3 Probe Molecules 145
3.4 Comparison of Adsorption Calorimetry and TPD Methods for the Determination of Acidic Properties of ZSM- 5 and Y Zeolites: A Case Study 158
3.5 Conclusion 179
References 179
4 Electron Microscopy and Imaging 185
4.1 Zeolite Morphologies 185
4.2 Electron Microscopy 186
References 205
5 Infrared and Raman Spectroscopy 213
5.1 Introduction 213
5.2 Infrared Spectroscopy 214
5.3 Raman Spectroscopy 215
5.4 Framework Vibrations 216
5.5 OH Groups 219
5.6 Bro ¨nsted vs. Lewis Acid Sites 223
5.7 Basic Sites 224
5.8 Adsorbed Species 225
5.9 In Situ Studies of Reaction Mechanisms 228
5.10 Concluding Remarks 233
References 233
6 Computational Approach in Zeolite Science 239
6.1 Introduction 239
6.2 Prediction of Structure (Static Lattice Methods) 240
6.3 Molecular Adsorption (Monte Carlo Simulations) 244
6.4 Diffusion (Molecular Dynamics Simulations) 248
6.5 Reactivity and Chemical Properties (Quantum Chemical Methods) 253
References 263
7 Reactions of C1 Building Blocks 267
7.1 Dehydroaromatization of Methane 267
7.2 Methanol to Hydrocarbons (MTHC) 274
References 288
8 Applications in Synthesis of Commodities and Fine Chemicals 291
8.1 Introduction 291
8.2 Electrophilic Substitution of Aromatics 293
8.3 Acid-Catalysed Rearrangements 309
8.4 Synthesis of Amines 321
8.5 Diels-Alder Cycloadditions 325
8.6 Redox Reactions 328
8.7 Stereoselective Reactions 346
8.8 Cascade One-Pot Reactions on Bifunctional Catalysts 351
8.9 Conclusions 356
References 358
Index 364