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Group Theory for Chemists
 
 

Group Theory for Chemists, 2nd Edition

Fundamental Theory and Applications

 
Group Theory for Chemists, 2nd Edition,Kieran Molloy,ISBN9780857092403
 
 
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Key Features

  • Provides a focused and comprehensive study of group theory and its applications, an invaluable resource to students of chemistry as well as those in related fields seeking an introduction to the topic
  • Presents diagrams and problem-solving exercises to help students improve their understanding, including a new section on the application of group theory to electronic spectroscopy
  • Reviews the essentials of symmetry and group theory, including symmetry, point groups and representations and the application of group theory to vibrational spectroscopy

Description

The basics of group theory and its applications to themes such as the analysis of vibrational spectra and molecular orbital theory are essential knowledge for the undergraduate student of inorganic chemistry. The second edition of Group Theory for Chemists uses diagrams and problem-solving to help students test and improve their understanding, including a new section on the application of group theory to electronic spectroscopy.

Part one covers the essentials of symmetry and group theory, including symmetry, point groups and representations. Part two deals with the application of group theory to vibrational spectroscopy, with chapters covering topics such as reducible representations and techniques of vibrational spectroscopy. In part three, group theory as applied to structure and bonding is considered, with chapters on the fundamentals of molecular orbital theory, octahedral complexes and ferrocene among other topics. Additionally in the second edition, part four focuses on the application of group theory to electronic spectroscopy, covering symmetry and selection rules, terms and configurations and d-d spectra.

Drawing on the author’s extensive experience teaching group theory to undergraduates, Group Theory for Chemists provides a focused and comprehensive study of group theory and its applications which is invaluable to the student of chemistry as well as those in related fields seeking an introduction to the topic.

Readership

Professionals and academics.

Kieran Molloy

Kieran C. Molloy is Professor of Inorganic Chemistry at the University of Bath.

Affiliations and Expertise

University of Bath, UK

Group Theory for Chemists, 2nd Edition

About the Author

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

Quotes and reviews

...this book provides a structured approach with regular problem-solving to assess understanding along the way. Developed from a highly successful lecture course, the text contains some interesting examples and tricks to help students cut through the mathematical barriers to understanding... This approach provides an effective self-learning tool for students., Education in Chemistry
The author does a wonderful job of introducing group theory to those who have had no exposure to this topic., Choice
 
 
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