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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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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
KM