Molecular Rotation Spectra

by Kroto, H. W.

• ISBN13: 9780486672595
• ISBN10: 048667259X
• Edition: Reprint
• Format: Paperback
• Copyright: 1992-10-01
• Publisher: Dover Pubns

Table of Contents

Quantum Mechanical Methods	p. 1
The Description of Molecular Rotation	p. 1
Molecular Energy and the Quantum Mechanical Hamiltonian	p. 1
The Harmonic Oscillator	p. 2
Non-diagonal Matrices	p. 7
The Hamiltonian for a Rotating Molecule	p. 12
The Born-Oppenheimer Separation of Electronic and Nuclear Motion	p. 12
The Partition of the Nuclear Kinetic Energy	p. 14
Angular Momenta	p. 20
Angular Momentum and the Energy Levels of a Rigid Rotor	p. 22
Angular Momentum and Axes of Reference	p. 22
Space-fixed Angular Momentum	p. 22
The Eigenvalues of Angular-momentum Operators	p. 23
Molecule-fixed Angular Momentum	p. 26
The Eigenfunctions of the Angular Momentum Operators	p. 28
General Approach to Solving the Rigid-rotor Hamiltonian	p. 30
The Energy Levels of Spherical Top Molecules	p. 31
The Energy Levels of Linear Molecules	p. 31
The Energy Levels of Symmetric Top Molecules	p. 33
The General Asymmetric Rotor Problem	p. 34
The Rotational Eigenfunctions	p. 45
Interaction of Radiation with a Rotating Molecule	p. 61
The Energy of a Molecule in an External Field	p. 61
Field Time Dependence	p. 62
Absorption and Emission Induced by Electric Dipole Interactions	p. 65
Dipole Moment Matrix Elements and Selection Rules	p. 69
Population Factors	p. 81
Line Shapes and Line Widths	p. 85
Spectral Intensity	p. 87
Raman Scattering	p. 90
Basic Rotational Spectra and Analysis	p. 95
The Absorption Spectra of Linear Molecules	p. 95
The Absorption Spectra of Symmetric Tops	p. 98
The Absorption Spectra of Asymmetric Rotors	p. 99
Raman Spectra	p. 110
Vibration-Rotation Interactions	p. 112
The Vibration-Rotation Hamiltonian for Semi-rigid Molecules	p. 112
The Semi-rigid Diatomic Molecule	p. 115
Expansion of the Vibration-Rotation Hamiltonian	p. 122
General Vibration-Rotation Theory Procedure	p. 125
Centrifugal Distortion in Polyatomic Molecules	p. 132
The Interpretation of Vibration-Rotation [alpha] Constants	p. 140
The Inertial Defect	p. 142
l-type Doubling	p. 145
Fermi and Coriolis Resonances	p. 148
Spectra of Semi-rigid Molecules	p. 149
Structure Determination	p. 156
The Stark Effect	p. 164
The Interaction between an Electric Charge Distribution and an Electric Potential	p. 164
The Stark Interaction	p. 165
First-order Stark Effect	p. 166
Second-order Stark Effect	p. 168
Stark Effect Patterns and Line Assignments	p. 173
Dipole Moment Determination	p. 176
Nuclear Quadrupole Hyperfine Interactions	p. 179
Electric Interactions Involving the Nucleus	p. 179
Spherical Tensors	p. 180
The Quadrupole Hamiltonian and Energy-level Expressions	p. 182
Spectra with Quadrupole Hyperfine Structure	p. 188
Flexible Molecules	p. 196
Definition of a Flexible Molecule	p. 196
Internal Rotation	p. 197
Inversion of Ammonia	p. 216
Ring Puckering	p. 220
Quasi-linear Molecules and Quasi-symmetric Tops	p. 222
Rotational Spectra of Linear Molecules with Electronic Angular Momentum	p. 224
Electronic Angular Momentum	p. 224
Classification of Electronic States of Linear Molecules	p. 224
Interactions Involving Electronic Angular Momentum	p. 226
Hund's Coupling Cases	p. 228
Energy Levels and Spectra; Hund's Cases a, b, and a-b	p. 230
Electron Resonance Spectra of Diatomic Molecules	p. 239
Experimental Techniques	p. 250
Microwave Spectrometers	p. 251
Frequency Multiplier Millimetre Wave Techniques	p. 255
Far Infra-red Fourier Transform Interferometers	p. 256
Lamb Dip Techniques	p. 258
Molecular Beam Techniques, Maser Spectrometers	p. 259
Acoustic Detection Spectrometers	p. 261
Multiple Resonance Experiments	p. 261
Magnetic Resonance Spectroscopy	p. 262
Raman Spectra	p. 262
Other Experimental Techniques	p. 263
App. A1 Notation	p. 264
App. A1.1 Units of Angular Momentum Operators and Parameters	p. 264
App. A1.2 Angular Momentum Quantum Numbers	p. 264
App. A1.3 Zero Point and Equilibrium Quantities	p. 265
App. A1.4 Cartesian Indices	p. 265
App. A1.5 Summation Convention	p. 266
App. A1.6 Permutation Symbol e[subscript ijk]	p. 266
App. A2 Angular Velocities, [omega[subscript alpha]]	p. 269
App. A3 Reduction of the Double Commutator [J[superscript 2], [J[superscript 2], T]]	p. 269
App. A4 Second-order Perturbation Contributions	p. 270
App. A5 The Two-dimensional Harmonic Oscillator	p. 271
App. A6 Kraitchman's Equations	p. 272
App. A7 Diatomic Molecular Potential Constants	p. 273
App. A8 The Van Vleck Transformation	p. 274
References	p. 278
Author Index	p. 293
Subject Index	p. 299
Table of Contents provided by Blackwell. All Rights Reserved.