Intro
Preface
Contents
List of Figures
List of Tables
1 Introduction
1.1 Introduction
1.1.1 Born-Oppenheimer Approximation
1.1.2 Validity of Born-Oppenheimer Approximation
1.1.3 Estimation of Different Energies in Molecules
1.1.4 Energy-level Diagram
1.1.5 Breakdown of Born-Oppenheimer Approximation
References and Suggested Reading
2 Rotational Spectra
2.1 Nuclear Wave Equation in Diatomic Molecules
2.2 Diatomic Molecule as a Rigid Rotator
2.3 Selection Rules and the Spectral Structure
2.4 Isotopic Effect in Rotational Spectra

2.5 Intensities of Rotational Lines
2.6 Non-rigid Rotator (A Semiclassical Approach)
2.7 Rotational Spectra of Polyatomic Molecules
2.7.1 Hamiltonian in Terms of Angular Momentums
2.7.2 Different Types of Rotating Molecules
2.8 Stark Effect
2.9 Quadrupole Hyperfine Structure in Molecules
References and Suggested Reading
3 Infrared Spectra
3.1 Vibrational Energy Levels of a Diatomic Molecule Considered as a Simple Harmonic Oscillator
3.1.1 Selection Rules

3.2 Rotational-Vibrational Spectrum of a Diatomic Molecule with the Potential Function of a Simple Harmonic Oscillator
3.3 Anharmonic Oscillator and Morse Potential Function
3.4 Dissociation Energy
References and Suggested Reading
4 Raman Spectroscopy
4.1 Classical Explanation of Raman Scattering
4.1.1 Polarizability Ellipsoid and Raman Activity
4.2 Quantum Theoretical Explanation
4.3 Selection Rules of Rotational Raman Spectra
4.3.1 Rotational Raman Spectra of Diatomic Molecules
4.3.2 Rotational Raman Spectra of Polyatomic Molecules

4.4 Symmetry Properties of Wave Functions
4.4.1 Effect of Nuclear Spins
4.5 Selection Rules and Characteristics of Vibrational Raman Spectra of Diatomic Molecules
4.5.1 Rotational Vibrational Raman Spectra
4.6 Raman Intensities
4.7 Surface Enhanced Raman Scattering (SERS)
References and Suggested Reading
5 Vibrational Spectra of Polyatomic Molecules
5.1 Normal Coordinates (Classical Description)
5.2 Normal Coordinates (Quantum Mechanical Description)
5.3 Selection Rules
5.3.1 Selection Rules for the Infrared Spectra
5.3.2 Selection Rules for the Raman Spectra

5.4 Normal Modes of a Linear Symmetric Triatomic Molecule
5.4.1 Parallel Bands
5.4.2 Perpendicular Bands
5.5 Normal Modes of an Asymmetric Linear Triatomic Molecule
5.6 Normal Coordinate Calculation by the Method of Wilson
5.6.1 Internal Coordinate
5.6.2 Determination of s-vectors
5.6.3 G-Matrix and Kinetic Energy
5.6.4 Potential Energy in Terms of Internal Coordinates and the Secular Equation
5.7 Molecular Symmetry and Vibrational Problems
5.8 Fourier Transform Spectroscopy
Appendix
s-Vectors for Torsional Vibrations
References and Suggested Reading