Molecular Spectroscopy (2nd Edition)

Description

This textbook offers an introduction to the foundations of spectroscopic methods and provides a bridge between basic concepts and experimental applications in fields as diverse as materials science, biology, solar energy conversion, and environmental science. The author emphasizes the use of time-dependent theory to link the spectral response in the frequency domain to the behavior of molecules in the time domain, strengthened by two brand new chapters on nonlinear optical spectroscopy and time-resolved spectroscopy. Theoretical underpinnings are presented to the extent necessary for readers to understand how to apply spectroscopic tools to their own interests.

Table of Contents

1. Introduction and Review
   
   1. Historical Perspective
   2. Definitions, Derivations and Discovery
   3. Review of Quantum Mechanics
   4. Approximate Solutions to the Schrödinger Equation: Variation and Perturbation Theory
   5. Statistical Mechanics
   6. Summary
   7. Problems
   8. Bibliography
2. The Nature of Electromagnetic Radiation
   1. Introduction
   2. The Classical Description of Electromagnetic Radiation
   3. Propagation of Light in Matter
   4. Quantum Mechanical Aspects of Light
   5. Summary
   6. Problems
   7. Bibliography
3. Electric and Magnetic Properties of Molecules and Bulk Matter
   1. Introduction
   2. Electric Properties of Molecules
   3. Electric Properties of Bulk Matter
   4. Magnetic Properties of Matter
   5. Summary
   6. Problems
   7. Bibliography
4. Time-dependent Perturbation Theory of Spectroscopy
   1. Introduction: Time Dependence in Quantum Mechanics
   2. Time-Dependent Perturbation Theory
   3. Rate Expression for Emission
   4. Perturbation Theory Calculation of Polarizability
   5. Quantum Mechanical Expression for Emission Rate
   6. Time Dependence of the Density Matrix
   7. Summary
   8. Problems
   9. Bibliography
5. The Time-Dependent Approach to Spectroscopy
   1. Introduction
   2. Time-Correlation Functions and Spectra as Fourier-Transform Pairs
   3. The Properties of Time-Correlation Functions and Spectral Lineshapes
   4. The Fluctuation Dissipation Theorem
   5. Rotational Correlation Functions and Pure Rotational Spectra
   6. Reorientational Spectroscopy of Liquids: Single-Molecule and Collective Dynamics
   7. Vibration-Rotation Spectra
   8. Spectral Moments
   9. Summary
   10. Problems
   11. Bibliography
6. Experimental Consideration: Absorption: Emission, and Scattering
   1. Introduction
   2. Einstein A and B Coefficients for Absorption and Emission
   3. Absorption and Stimulated Emission
   4. Electronic Absorption and Emission Spectroscopy
   5. Measurement of Light Scattering: The Raman and Rayleigh Effects
   6. Spectral Lineshapes
   7. Summary
   8. Problems
   9. Bibliography
7. Atomic Spectroscopy
   1. Introduction
   2. Good Quantum Numbers and Not So Good Quantum Numbers
   3. Selection Rules for Atomic Absorption and Emission
   4. The Effect of External Fields
   5. Atomic Lasers and The Principles of Laser Emission
   6. Summary
   7. Problems
   8. Bibliography
8. Rotational Spectroscopy
   1. Introduction
   2. Energy Levels for Free Rigid Rotors
   3. Angular Momentum Coupling in Non-¹Σ Electronic States
   4. Nuclear Statistics and the J states of Homonuclear Diatomics
   5. Rotational Absorption and Emission Spectroscopy
   6. Rotational Raman Spectroscopy
   7. Corrections to the Rigid-Rotor Approximation
   8. Internal Rotation
   9. Summary
   10. Problems
   11. Bibliography
9. Vibrational Spectroscopy of Diatomic Molecules
   1. Introduction
   2. The Born-Oppenheimer Approximation and Its Consequences
   3. The Harmonic Oscillator Model
   4. Selection Rules for Vibrational Transitions
   5. Beyond the Rigid-Rotor Harmonic Oscillator Approximation
   6. Summary
   7. Problems
   8. Bibliography
10. Vibrational Spectroscopy of Polyatomics
    1. Introduction
    2. Normal Modes of Vibration
    3. Quantum Mechanics of Polyatomic Vibrations
    4. Group Theoretical Treatment of Vibrations
    5. Selection Rules for Infrared Absorption and Raman Scattering: Group Theoretical Prediction of Activity
    6. Rotational Structure
    7. Anharmonicity
    8. Selection Rules at Work: Benzene
    9. Solvent Effects on Infrared Spectra
    10. Summary
    11. Problems
    12. Bibliography
11. Electronic Spectroscopy
    1. Introduction
    2. Diatomic Molecules: Electronic State and Selection Rules
    3. Vibrational Structure in Electronic Spectra and Diatomics
    4. Born-Oppenheimer Breakdown in Diatomic Molecules
    5. Polyatomic Molecules: Electronic States and Selection Rules
    6. Transition Metal Complexes: Forbidden Transitions and the Jahn-Teller Effect
    7. Emission Spectra of Polyatomic Molecules
    8. Nonradiative Relaxation of Polyatomic Molecules
    9. Chromophores
    10. Solvent Effects in Electronic Spectroscopy
    11. Summary
    12. Problems
    13. Bibliography
12. Raman and Resonance Raman Spectroscopy
    1. Introduction
    2. Selection Rules in Raman Scattering
    3. Polarization in Raman Scattering
    4. Rotational and Vibrational Dynamics in Raman Scattering
    5. Analysis of Raman Excitation Profiles
    6. Surface-Enhanced Raman ScatteringSummary
    7. Problems
    8. Bibliography
13. Nonlinear Optical Spectroscopy
    1. Introduction
    2. Classical Approaches to Nonlinear Optical Processes
    3. Quantum Mechanical Approach to Nonlinear Optical Processes
    4. Feynman Diagrams and Calculation of Time-Dependent Response Functions
    5. Experimental Applications of Nonlinear Processes
    6. Summary
    7. Problems
    8. Bibliography
14. Time-Resolved Spectroscopy
    1. Introduction
    2. Time-Resolved Fluorescence Spectroscopy
    3. Time-Resolved Four Wave Mixing Experiments
    4. Transient Grating and Photon Echo Experiments
    5. Two-Dimensional Spectroscopy
    6. Summary
    7. Problems
    8. Bibliography
15. Appendix A Math Review
    1. Vectors and Tensors in Three Dimensions
    2. Matrices
    3. Operations with Cartesian and Spherical Tensors
    4. Spherical Harmonics
    5. Wigner Rotation Functions and Spherical Tensors
    6. The Clebsch-Gordan Series and 3j Symbols
16. Appendix B Principles of Electrostatics
    1. Units
    2. Some Applications of Gauss’ Law
    3. Some Mathematical Details
17. Appendix C Group Theory
    1. Point Groups and Symmetry Operations
    2. Information Conveyed by The Character Tables
    3. Direct Products and Reducible Representations
    4. Character Tables

Reviews

“This text is uniquely valuable because it presents the linear and nonlinear spectroscopy that is most relevant for exciting condensed phase molecular systems”

– Richard A. Mathies, Professor of Chemistry, UC Berkeley

“This book provides a solid treatment of the foundations of spectroscopy and applies it to modern topics”

– Robert J. Gordon, Professor of Chemistry, University of Illinois at Chicago

Author Biography

Jeanne L. McHale is Professor Emerita at Washington State University, where her research is devoted to the study of molecular aggregates and nanomaterials relevant to solar energy conversion. She is a fellow of the American Association for the Advancement of Science and the author or coauthor of more than 100 publications. In addition to Molecular Spectroscopy, she co-edited the Handbook of Luminescent Semiconductor Materials with Leah Bergman, published by Taylor & Francis in 2011.