Max Diem

Quantum Mechanical Foundations of Molecular Spectroscopy


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7.5 Electron Spin 7.6 Spatial Quantization of Angular Momentum References Problems Note

      13  8 Nuclear Magnetic Resonance (NMR) Spectroscopy 8.1 General Remarks 8.2 Review of Electron Angular Momentum and Spin Angular Momentum 8.3 Nuclear Spin 8.4 Selection Rules, Transition Energies, Magnetization, and Spin State Population 8.5 Chemical Shift 8.6 Multispin Systems 8.7 Pulse FT NMR Spectroscopy References Problems

      14  9 Atomic Structure: Multi‐electron Systems 9.1 The Two‐electron Hamiltonian, Shielding, and Effective Nuclear Charge 9.2 The Pauli Principle 9.3 The Aufbau Principle 9.4 Periodic Properties of Elements 9.5 Atomic Energy Levels 9.6 Atomic Spectroscopy 9.7 Atomic Spectroscopy in Analytical Chemistry References Problems

      15  10 Electronic States and Spectroscopy of Polyatomic Molecules 10.1 Molecular Orbitals and Chemical Bonding in the H2+ Molecular Ion 10.2 Molecular Orbital Theory for Homonuclear Diatomic Molecules 10.3 Term Symbols and Selection Rules for Homonuclear Diatomic Molecules 10.4 Electronic Spectra of Diatomic Molecules 10.5 Qualitative Description of Electronic Spectra of Polyatomic Molecules 10.6 Fluorescence Spectroscopy 10.7 Optical Activity: Electronic Circular Dichroism and Optical Rotation References Problems Note

      16  11 Group Theory and Symmetry 11.1 Symmetry Operations and Symmetry Groups 11.2 Group Representations 11.3 Symmetry Representations of Molecular Vibrations 11.4 Symmetry‐Based Selection Rules for Dipole‐Allowed Processes 11.5 Selection Rules for Raman Scattering 11.6 Character Tables of a Few Common Point Groups References Problems

      17  Appendix 1: Constants and Conversion Factors

      18  Appendix 2: Approximative Methods: Variation and Perturbation Theory A2.1 General Remarks A2.2 Variation Method A2.3 Time‐independent Perturbation Theory for Nondegenerate Systems A2.4 Detailed Example of Time‐independent Perturbation: The Particle in a Box with a Sloped Potential Function A2.5 Time‐dependent Perturbation of Molecular Systems by Electromagnetic Radiation Reference

      19  Appendix 3: Nonlinear Spectroscopic Techniques A3.1 General Formulation of Nonlinear Effects A3.2 Noncoherent Nonlinear Effects: Hyper‐Raman Spectroscopy A3.3 Coherent Nonlinear Effects A3.4 Epilogue References

      20  Appendix 4: Fourier Transform (FT) Methodology A4.1 Introduction to Fourier Transform Spectroscopy A4.2 Data Representation in Different Domains A4.3 Fourier Series A4.4 Fourier Transform A4.5 Discrete and Fast Fourier Transform Algorithms A4.6 FT Implementation in EXCEL or MATLAB References

      21  Appendix 5: Description of Spin Wavefunctions by Pauli Spin Matrices A5.1 The Formulation of Spin Eigenfunctions α and β as Vectors A5.2 Form of the Pauli Spin Matrices A5.3 Eigenvalues of the Spin Matrices Reference

      22  Index