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Informationen zum Autor Dr David Willock, Department of Chemistry, Cardiff University, UK Dr Willock is a lecturer in physical chemistry at Cardiff University. His research focuses on computer simulations and computational chemistry. He teaches courses in physical chemistry, group theory and solid state chemistry. Klappentext Symmetry in Chemistry carefully introduces this subject by combining symmetry with spectroscopy in a clear and accessible manner. Beginning with an introduction to symmetry in nature and chemistry, the text goes on to examine point groups, vibrational spectra and the description of chemical bonding based on molecular orbital theory, with appendices on background mathematics and theoretical concepts. Each chapter introduces the subject gradually through simple examples and integrated set problems to enhance student understanding. This text fills a niche in the market combining the applications of the subject with the necessary theory in a clear and accessible manner. Zusammenfassung Molecular Symmetry lays out the formal language in the area using illustrative examples of particular molecules throughout. It then applies the ideas of symmetry to describe molecular structure, bonding in molecules and consider the implications in spectroscopy. Inhaltsverzeichnis Preface. 1. Symmetry Elements and Operations. 1.1 Introduction. 1.2 Symmetry Elements and Operations. 1.3 Examples of the Impact of Geometric Symmetry on Chemistry. 1.4 Summary. 1.5 Self-Test Questions. Further Reading. 2. More Symmetry Operations and Products of Operations. 2.1 Introduction. 2.2 Background to Point Groups. 2.3 Closed Groups and New Operations. 2.4 Properties of Symmetry Operations. 2.5 Chirality and Symmetry. 2.6 Summary. 2.7 Completed Multiplication Tables. 2.8 Self-Test Questions. 3. The Point Groups Used with Molecules. 3.1 Introduction. 3.2 Molecular Classification Using Symmetry Operations. 3.3 Constructing Reference Models with Idealized Symmetry. 3.4 The Nonaxial Groups: Cs,Ci,C1. 3.5 The Cyclic Groups: Cn, Sn. 3.6 Axial Groups Containing Mirror Planes: Cnh and Cnv. 3.6.1 Examples of Axial Groups Containing Mirror Planes: Cnh and Cnv. 3.7 Axial Groups with Multiple Rotation Axes: Dn, Dnd and Dnh. 3.8 Special Groups for Linear Molecules: Cìv and Dìh. 3.9 The Cubic Groups: Td and Oh. 3.10 Assigning Point Groups to Molecules. 3.11 Example Point Group Assignments. 3.12 Self-Test Questions. 4. Point Group Representations, Matrices and Basis Sets. 4.1 Introduction. 4.2 Symmetry Representations and Characters. 4.3 Multiplication Tables for Character Representations. 4.4 Matrices and Symmetry Operations. 4.5 Diagonal and Off-Diagonal Matrix Elements. 4.6 The Trace of a Matrix as the Character for an Operation. 4.7 Noninteger Characters. 4.8 Reducible Representations. 4.9 Classes of Operations. 4.10 Degenerate Irreducible Representations. 4.11 The Labelling of Irreducible Representations. 4.12 Summary. 4.13 Completed Tables. 4.14 Self-Test Questions. Further Reading. 5. Reducible and Irreducible Representations. 5.1 Introduction. 5.2 Irreducible Representations and Molecular Vibrations. 5.3 Finding Reducible Representations. 5.4 Properties of Point Groups and Irreducible Representations. 5.5 The Reduction Formula. 5.6 A Complete Set of Vibrational Modes for H2O. 5.7 Choosing the Basis Set. 5.8 The d-Orbitals in Common Transition Metal Complex Geometries. 5.9 Linear Molecules: Groups of Infinite Order. 5.10 Summary. 5.11 Self-Test Questions. ...
