Table of Contents

Cover image

Title page

About the Author

Copyright

Preface

Part I: Symmetry and Groups

Chapter 1: Symmetry

1.1 SYMMETRY

1.2 POINT GROUPS

1.3 CHIRALITY AND POLARITY

1.4 SUMMARY

PROBLEMS

Chapter 2: Groups and Representations

2.1 GROUPS

2.2 TRANSFORMATION MATRICES

2.3 REPRESENTATIONS OF GROUPS

2.4 CHARACTER TABLES

2.5 SYMMETRY LABELS

2.6 SUMMARY

PROBLEMS

Part II: Application of Group Theory to Vibrational Spectroscopy

Chapter 3: Reducible Representations

3.1 REDUCIBLE REPRESENTATIONS

3.2 THE REDUCTION FORMULA

3.3 THE VIBRATIONAL SPECTRUM OF SO2

3.4 CHI PER UNSHIFTED ATOM

3.5 SUMMARY

PROBLEMS

Chapter 4: Techniques of Vibrational Spectroscopy

4.1 GENERAL CONSIDERATIONS

4.2 INFRARED SPECTROSCOPY

4.3 RAMAN SPECTROSCOPY

4.4 RULE OF MUTUAL EXCLUSION

4.5 SUMMARY

PROBLEMS

Chapter 5: The Vibrational Spectrum of Xe(O)F4

5.1 STRETCHING AND BENDING MODES

5.2 THE VIBRATIONAL SPECTRUM OF Xe(O)F4

5.3 GROUP FREQUENCIES

PROBLEMS

Part III: Application of Group Theory to Structure and Bonding

Chapter 6: Fundamentals of Molecular Orbital Theory

6.1 BONDING IN H2

6.2 BONDING IN LINEAR H3

6.3 LIMITATIONS IN A QUALITATIVE APPROACH

6.4 SUMMARY

PROBLEMS

Chapter 7: H2O – Linear or Angular ?

7.1 SYMMETRY-ADAPTED LINEAR COMBINATIONS

7.2 CENTRAL ATOM ORBITAL SYMMETRIES

7.3 A MOLECULAR ORBITAL DIAGRAM FOR H2O

7.4 A C2v/D∞h MO CORRELATION DIAGRAM

7.5 SUMMARY

PROBLEMS

Chapter 8: NH3 – Planar or Pyramidal ?

8.1 LINEAR OR TRIANGULAR H3 ?

8.2 A MOLECULAR ORBITAL DIAGRAM FOR BH3

8.3 OTHER CYCLIC ARRAYS

8.4 SUMMARY

PROBLEMS

Chapter 9: Octahedral Complexes

9.1 SALCS FOR OCTAHEDRAL COMPLEXES

9.2 d-ORBITAL SYMMETRY LABELS

9.3 OCTAHEDRAL P-BLOCK COMPLEXES

9.4 OCTAHEDRAL TRANSITION METAL COMPLEXES

9.5 π-BONDING AND THE SPECTROCHEMICAL SERIES

9.6 SUMMARY

PROBLEMS

Chapter 10: Ferrocene

10.1 CENTRAL ATOM ORBITAL SYMMETRIES

10.2 SALCS FOR CYCLOPENTADIENYL ANION

10.3 MOLECULAR ORBITALS FOR FERROCENE

PROBLEMS

Part IV: Application of Group Theory to Electronic Spectroscopy

Chapter 11: Symmetry and Selection Rules

11.1 SYMMETRY OF ELECTRONIC STATES

11.2 SELECTION RULES

11.3 THE IMPORTANCE OF SPIN

11.4 DEGENERATE SYSTEMS

11.5 EPILOGUE – SELECTION RULES FOR VIBRATIONAL SPECTROSCOPY

11.6 SUMMARY

PROBLEMS

Chapter 12: Terms and Configurations

12.1 TERM SYMBOLS

12.2 THE EFFECT OF A LIGAND FIELD – ORBITALS

12.3 SYMMETRY LABELS FOR dn CONFIGURATIONS – AN OPENING

Table 12.5 Direct product table for octahedral symmetry

12.4 WEAK LIGAND FIELDS, TERMS AND CORRELATION DIAGRAMS

12.5 SYMMETRY LABELS FOR dn CONFIGURATIONS – CONCLUSION

12.6 SUMMARY

PROBLEMS

Chapter 13: d-d Spectra

13.1 THE BEER-LAMBERT LAW

13.2 SELECTION RULES AND VIBRONIC COUPLING

13.3 THE SPIN SELECTION RULE

13.4 d-d SPECTRA – HIGH-SPIN OCTAHEDRAL COMPLEXES

13.5 d-d SPECTRA – TETRAHEDRAL COMPLEXES

13.6 d-d SPECTRA – LOW-SPIN COMPLEXES

13.7 DESCENDING SYMMETRY

13.8 SUMMARY

PROBLEMS

Appendices

Appendix 1: Projection Operators

APPENDIX 2: Microstates and Term Symbols

Appendix 3: Answers to SAQs

APPENDIX 4: Answers to Problems

Appendix 5: Selected Character Tables

Index

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