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Group Theory for Chemists
Fundamental Theory and Applications
- 2nd Edition - December 21, 2010
- Author: Kieran C Molloy
- Language: English
- Paperback ISBN:9 7 8 - 0 - 8 5 7 0 9 - 2 4 0 - 3
- eBook ISBN:9 7 8 - 0 - 8 5 7 0 9 - 2 4 1 - 0
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… Read more
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Request a sales quoteThe 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.
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.
- 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
Professionals and academics
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
- No. of pages: 232
- Language: English
- Edition: 2
- Published: December 21, 2010
- Imprint: Woodhead Publishing
- Paperback ISBN: 9780857092403
- eBook ISBN: 9780857092410
KM
Kieran C Molloy
Kieran C. Molloy is Professor of Inorganic Chemistry at the University of Bath.
Affiliations and expertise
University of Bath, UKRead Group Theory for Chemists on ScienceDirect