Table of Contents 1
Cover
4
Preface
6
1 Transition from Classical Physics to Quantum Mechanics
1.1 Description of Light as an Electromagnetic Wave
1.2 Blackbody Radiation
1.3 The Photoelectric Effect
1.4 Hydrogen Atom Absorption and Emission Spectra
1.5 Molecular Spectroscopy
1.6 Summary
References
Problems
7
2 Principles of Quantum Mechanics
2.1 Postulates of Quantum Mechanics
2.2 The Potential Energy and Potential Functions
2.3 Demonstration of Quantum Mechanical Principles for a Simple, One‐Dimensional, One‐Electron Model System: The Particle in a Box
2.4 The Particle in a Two‐Dimensional Box, the Unbound Particle, and the Particle in a Box with Finite Energy Barriers
2.5 Real‐World PiBs: Conjugated Polyenes, Quantum Dots, and Quantum Cascade Lasers
References
Problems
8
3 Perturbation of Stationary States by Electromagnetic Radiation
3.1 Time‐Dependent Perturbation Treatment of Stationary‐State Systems by Electromagnetic Radiation
3.2 Dipole‐Allowed Absorption and Emission Transitions and Selection Rules for the Particle in a Box
3.3 Einstein Coefficients for the Absorption and Emission of Light
3.4 Lasers
References
Problems
Note
9
4 The Harmonic Oscillator, a Model System for the Vibrations of Diatomic Molecules
4.1 Classical Description of a Vibrating Diatomic Model System
4.2 The Harmonic Oscillator Schrödinger Equation, Energy Eigenvalues, and Wavefunctions
4.3 The Transition Moment and Selection Rules for Absorption for the Harmonic Oscillator
4.4 The Anharmonic Oscillator
4.5 Vibrational Spectroscopy of Diatomic Molecules
4.6 Summary
References
Problems
10
5 Vibrational Infrared and Raman Spectroscopy of Polyatomic Molecules
5.1 Vibrational Energy of Polyatomic Molecules: Normal Coordinates and Normal Modes of Vibration
5.2 Quantum Mechanical Description of Molecular Vibrations in Polyatomic Molecules
5.3 Infrared Absorption Spectroscopy
5.4 Raman Spectroscopy
5.5 Selection Rules for IR and Raman Spectroscopy of Polyatomic Molecules
5.6 Relationship between Infrared and Raman Spectra: Chloroform
5.7 Summary: Molecular Vibrations in Science and Technology
References
Problems
11
6 Rotation of Molecules and Rotational Spectroscopy
6.1 Classical Rotational Energy of Diatomic and Polyatomic Molecules
6.2 Quantum Mechanical Description of the Angular Momentum Operator
6.3 The Rotational Schrödinger Equation, Eigenfunctions, and Rotational Energy Eigenvalues
6.4 Selection Rules for Rotational Transitions
6.5 Rotational Absorption (Microwave) Spectra
6.6 Rot–Vibrational Transitions
References
Problems
12
7 Atomic Structure: The Hydrogen Atom
7.1 The Hydrogen Atom Schrödinger Equation
7.2 Solutions of the Hydrogen Atom Schrödinger Equation
7.3 Dipole Allowed Transitions for the Hydrogen Atom
7.4 Discussion of
