Zeolite Characterization and Catalysis - A Tutorial

Preface

A Brief Introduction to Zeolites

Contents

Contributors

1 Powder Diffraction in Zeolite Science

1.1 Introduction

1.2 Lattice Spacings, Unit Cells, Crystal Symmetry, and Space Groups

1.3 Fundamentals of Diffraction and Reciprocal Space

1.4 Single Crystal Diffraction

1.5 Intensity From Diffraction

1.6 X-Ray Diffraction

1.7 Neutron Diffraction

1.8 Powder Diffraction

1.9 Systematic Absences in Diffraction Patterns

1.10 Phase Identification, Unit Cell Refinement, and Lattice Substitution

1.11 Factors Affecting Peak Profiles in Powder Diffraction

1.12 Absorption

1.13 Preferred Orientation and Graininess

1.14 Structure Determination

1.15 Diffuse Scattering from Materials with One-Dimensional Planar Disorder

References

2 Solid-State NMR Spectroscopy

Abbreviations

2.1 Introduction

2.2 Fundamentals of Solid-State NMR Spectroscopy

2.3 Solid-State NMR Techniques

2.4 Investigation of the Zeolite Framework

2.5 Investigation of Extra-Framework Cations

2.6 Investigation of Surface OH Groups

2.7 Investigation of Surface Sites by Probe Molecules

References

3 Determination of Acid/Base Properties by Temperature Programmed Desorption ( TPD) and Adsorption Calorimetry

3.1 Introduction

3.2 Experimental Techniques

3.3 Probe Molecules

3.4 Comparison of Adsorption Calorimetry and TPD Methods for the Determination of Acidic Properties of ZSM- 5 and Y Zeolites: A Case Study

3.5 Conclusion

References

4 Electron Microscopy and Imaging

4.1 Zeolite Morphologies

4.2 Electron Microscopy

References

5 Infrared and Raman Spectroscopy

5.1 Introduction

5.2 Infrared Spectroscopy

5.3 Raman Spectroscopy

5.4 Framework Vibrations

5.5 OH Groups

5.6 Bro ¨nsted vs. Lewis Acid Sites

5.7 Basic Sites

5.8 Adsorbed Species

5.9 In Situ Studies of Reaction Mechanisms

5.10 Concluding Remarks

References

6 Computational Approach in Zeolite Science

6.1 Introduction

6.2 Prediction of Structure (Static Lattice Methods)

6.3 Molecular Adsorption (Monte Carlo Simulations)

6.4 Diffusion (Molecular Dynamics Simulations)

6.5 Reactivity and Chemical Properties (Quantum Chemical Methods)

References

7 Reactions of C1 Building Blocks

7.1 Dehydroaromatization of Methane

7.2 Methanol to Hydrocarbons (MTHC)

References

8 Applications in Synthesis of Commodities and Fine Chemicals

8.1 Introduction

8.2 Electrophilic Substitution of Aromatics

8.3 Acid-Catalysed Rearrangements

8.4 Synthesis of Amines

8.5 Diels-Alder Cycloadditions

8.6 Redox Reactions

8.7 Stereoselective Reactions

8.8 Cascade One-Pot Reactions on Bifunctional Catalysts

8.9 Conclusions

References

Index