Molecular Spectroscopy: 2nd Edition (e-Book) book cover

Molecular Spectroscopy

2nd Edition

By Jeanne L. McHale

CRC Press

457 pages | 187 B/W Illus.

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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.

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

Table of Contents

Introduction and Review

Historical Perspective

Definitions, Derivations and Discovery

Review of Quantum Mechanics

Approximate Solutions to the Schrödinger Equation: Variation and Perturbation Theory

Statistical Mechanics

Summary

Problems

Bibliography

The Nature of Electromagnetic Radiation

Introduction

The Classical Description of Electromagnetic Radiation

Propagation of Light in Matter

Quantum Mechanical Aspects of Light

Summary

Problems

Bibliography

Electric and Magnetic Properties of Molecules and Bulk Matter

Introduction

Electric Properties of Molecules

Electric Properties of Bulk Matter

Magnetic Properties of Matter

Summary

Problems

Bibliography

Time-dependent Perturbation Theory of Spectroscopy

Introduction: 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

Summary

Problems

Bibliography

The Time-Dependent Approach to Spectroscopy

Introduction

Time-Correlation Functions and Spectra as Fourier-Transform Pairs

The Properties of Time-Correlation Functions and Spectral Lineshapes

The Fluctuation Dissipation Theorem

Rotational Correlation Functions and Pure Rotational Spectra

Reorientational Spectroscopy of Liquids: Single-Molecule and Collective Dynamics

Vibration-Rotation Spectra

Spectral Moments

Summary

Problems

Bibliography

Experimental Consideration: Absorption: Emission, and Scattering

Introduction

Einstein A and B Coefficients for Absorption and Emission

Absorption and Stimulated Emission

Electronic Absorption and Emission Spectroscopy

Measurement of Light Scattering: The Raman and Rayleigh Effects

Spectral Lineshapes

Summary

Problems

Bibliography

Atomic Spectroscopy

Introduction

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

Summary

Problems

Bibliography

Rotational Spectroscopy

Introduction

Energy Levels for Free Rigid Rotors

Angular Momentum Coupling in Non-1Σ Electronic States

Nuclear Statistics and the J states of Homonuclear Diatomics

Rotational Absorption and Emission Spectroscopy

Rotational Raman Spectroscopy

Corrections to the Rigid-Rotor Approximation

Internal Rotation

Summary

Problems

Bibliography

Vibrational Spectroscopy of Diatomic Molecules

Introduction

The Born-Oppenheimer Approximation and Its Consequences

The Harmonic Oscillator Model

Selection Rules for Vibrational Transitions

Beyond the Rigid-Rotor Harmonic Oscillator Approximation

Summary

Problems

Bibliography

Vibrational Spectroscopy of Polyatomics

Introduction

Normal Modes of Vibration

Quantum Mechanics of Polyatomic Vibrations

Group Theoretical Treatment of Vibrations

Selection Rules for Infrared Absorption and Raman Scattering: Group Theoretical Prediction of Activity

Rotational Structure

Anharmonicity

Selection Rules at Work: Benzene

Solvent Effects on Infrared Spectra

Summary

Problems

Bibliography

Electronic Spectroscopy

Introduction

Diatomic Molecules: Electronic State and Selection Rules

Vibrational Structure in Electronic Spectra and Diatomics

Born-Oppenheimer Breakdown in Diatomic Molecules

Polyatomic Molecules: Electronic States and Selection Rules

Transition Metal Complexes: Forbidden Transitions and the Jahn-Teller Effect

Emission Spectra of Polyatomic Molecules

Nonradiative Relaxation of Polyatomic Molecules

Chromophores

Solvent Effects in Electronic Spectroscopy

Summary

Problems

Bibliography

Raman and Resonance Raman Spectroscopy

Introduction

Selection Rules in Raman Scattering

Polarization in Raman Scattering

Rotational and Vibrational Dynamics in Raman Scattering

Analysis of Raman Excitation Profiles

Surface-Enhanced Raman ScatteringSummary

Problems

Bibliography

Nonlinear Optical Spectroscopy

Introduction

Classical Approaches to Nonlinear Optical Processes

Quantum Mechanical Approach to Nonlinear Optical Processes

Feynman Diagrams and Calculation of Time-Dependent Response Functions

Experimental Applications of Nonlinear Processes

Summary

Problems

Bibliography

Time-Resolved Spectroscopy

Introduction

Time-Resolved Fluorescence Spectroscopy

Time-Resolved Four Wave Mixing Experiments

Transient Grating and Photon Echo Experiments

Two-Dimensional Spectroscopy

Summary

Problems

Bibliography

Appendix A Math Review

Vectors and Tensors in Three Dimensions

Matrices

Operations with Cartesian and Spherical Tensors

Spherical Harmonics

Wigner Rotation Functions and Spherical Tensors

The Clebsch-Gordan Series and 3j Symbols

Appendix B Principles of Electrostatics

Units

Some Applications of Gauss’ Law

Some Mathematical Details

Appendix C Group Theory

Point Groups and Symmetry Operations

Information Conveyed by The Character Tables

Direct Products and Reducible Representations

Character Tables

About the Author

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.

Subject Categories

BISAC Subject Codes/Headings:
SCI077000
SCIENCE / Solid State Physics
SCI078000
SCIENCE / Spectroscopy & Spectrum Analysis
TEC021000
TECHNOLOGY & ENGINEERING / Material Science