Molecular Spectroscopy

(NOTE: Each chapter begins with an introduction and concludes with a summary and end-of-chapter problems.)

1. Introduction and Review.


Historical Perspective. Definition, Derivations, and Discovery. Review of Quantum Mechanics. Approximate Solutions to the Schrödinger Equation. Statistical Mechanics.



2. The Nature of Electromagnetic Radiation.


The Classical Description of Electromagnetic Radiation. Propagation of Light in Matter. Quantum Mechanical Aspects of Light.



3. Electric and Magnetic Properties of Molecules and Bulk Matter.


Electric Properties of Molecules. Electric Properties of Bulk Matter. Magnetic Properties of Matter.



4. Time-Dependent Perturbation Theory of Spectroscopy.


Time Dependence in Quantum Mechanics. Time Dependent Perturbation Theory. Rate Expression for Emission. Perturbation Theory Calculation of Polarizability. Quantum Mechanical Expression for Emission Rate. Time Dependence of the Density Matrix.



5. The Time-Dependent Approach to Spectroscopy.


Time-Correlation Functions and Spectra as Fourier Transform Pairs. Properties of Time Correlation Functions and Spectral Lineshapes. The Fluctuation-Dissipation Theorem. Rotational Correlation Functions and Pure Rotational Spectra. Reorientational Spectroscopy of Liquids. Vibration-Rotation Spectra. Spectral Moments.



6. Experimental Considerations: Absorption, Emission, and Scattering.


Einstein A and B Coefficients for Absorption and Emission. Absorption and Stimulated Emission. Absorption and Emission Spectroscopy. Measurement of Light Scattering: The Raman and Rayleigh Effects. Spectral Lineshapes.



7. Atomic Spectroscopy.


Good Quantum Numbers and Not So Good Quantum Numbers. Selection Rules for Atomic Absorption and Emission. The Effect of External Fields. Atomic Lasers and the Principles of Laser Emission.



8. Rotational Spectroscopy.


Energy Levels of Free Rigid Rotors. Angular Momentum Coupling in Non-1S Electronic States. Nuclear Statistics and J-States of Homonuclear Diatomics. Rotational Absorption and Emission Spectroscopy. Rotational Raman Spectroscopy. Corrections to the Rigid Rotor Approximation. Internal Rotation.



9. Vibrational Spectroscopy of Diatomics.


The Born-Oppenheimer Approximation and Its Consequences. The Harmonic Oscillator Model. Selection Rules for Vibrational Transitions. Beyond the Rigid Rotor — Harmonic Oscillator Approximation.



10. Vibrational Spectroscopy of Polyatomic Molecules.


Normal Modes of Vibration. Quantum Mechanics of Polyatomic Vibrations. Group Theoretical Treatment of Vibrations. Selection Rules for Infrared Absorption and Raman Scattering. Rotational Structure. Anharmonicity. Selection Rules at Work: Benzene. Solvent Effects on Infrared Spectra.



11. Electronic Spectroscopy.


Diatomic Molecules: Electronic States and Selection Rules. Vibrational Structure in Electronic Spectra of Diatomics. Born-Oppenheimer Breakdown in Diatomic Molecules. Polyatomic Molecules: Electronic States and Selection Rules. Transition Metal Complexes. Emission Spectroscopy of Polyatomic Molecules. Chromophores. Solvent Effects in Electronic Spectroscopy.



12. Raman and Resonance Raman Spectroscopy.


Selection Rules in Raman Scattering. Polarization in Raman Scattering. Rotational and Vibrational Dynamics in Raman Scattering. Analysis of Raman Excitation Profiles. Time-Dependent Theory of Resonance Raman Spectra. Raman Scattering as a Third-Order Nonlinear Process.



Appendix A: Math Review.


Appendix B: Principles of Electrostatics.


Appendix C: Group Theory.