主题：【资料】Spectroscopy of Pharmaceutical Solids

主编：Harry G. Brittain
目录：Part I. Introduction to Spectroscopy
1. Electromagnetic Radiation and Spectroscopy . . . . . . . . . . . . . . . . 1
Harry G. Brittain
Nature of Electromagnetic Radiation . . . . 1
Classical Description of Electromagnetic Radiation . . . . 3
The Quantum Theory of Electromagnetic Radiation . . . . 8
Ionization and Excitation of Atoms . . . . 12
Development of the Quantum Theory . . . . 17
Overview of Spectroscopy . . . . 28
Summary . . . . 30
References . . . . 31
Part II. Core Electron Spectroscopy
2. Core Electron States and X-Ray Absorption Spectroscopy . . . . . 33
Harry G. Brittain
Wave Mechanical Description of the Hydrogen Atom . . . . 33
X-Ray Absorption Spectroscopy . . . . 53
References . . . . 64
3. X-Ray Photoelectron and X-Ray Fluorescence Spectroscopy . . . 67
Harry G. Brittain
X-Ray Emission Spectroscopies . . . . 67
X-Ray Photoelectron Spectroscopy . . . . 69
X-Ray Fluorescence Spectroscopy . . . . 77
References . . . . 87
Part III. Valence Electron Spectroscopy
4. Molecular Orbital Theory and the Electronic Structure
of Molecules . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91
Harry G. Brittain
Molecular Orbital (MO) Theory of Organic Molecules . . . . 91
LCAO-MO Theory . . . . 93
LCAO-MO Theory and the Spectroscopy of
Diatomic Molecules . . . . 97
MO Theory and the Spectroscopy of Polyatomic Molecules . . . . 104
General Features of the Absorption
Spectroscopy of Organic Molecules . . . . 112
References . . . . 119
5. UV/VIS Reflectance Spectroscopy . . . . . . . . . . . . . . . . . . . . . . 121
Harry G. Brittain
Introduction . . . . 121
Categories of Light Reflectance . . . . 122
Theory Associated with Diffuse Reflectance Measurements . . . . 124
Instrumentation for the Measurement of Diffuse Reflectance . . . . 127
Quantitative Measurement of Color . . . . 129
Applications of UV/VIS Diffuse Reflectance Spectroscopy
to the Study of Solids Having Pharmaceutical Interest . . . . 134
Use of Adsorbed Indicators for the Evaluation
of Surface Acidity and Basicity . . . . 141
Summary . . . . 147
References . . . . 147
6. Luminescence Spectroscopy . . . . . . . . . . . . . . . . . . . . . . . . . . . 151
Harry G. Brittain
Introduction . . . . 151
Photophysical Processes in Isolated Organic Molecules . . . . 152
Photophysical Processes Associated with
Interacting Molecules . . . . 157
Instrumentation for the Measurement of Luminescence
Spectra . . . . 170
Photoluminescence and the Structure of
Organic Molecules . . . . 178
Studies of Luminescence in the Crystalline State . . . . 179
Photoluminescence from Molecules Adsorbed on Surfaces . . . . 184
References . . . . 198
Part IV. Vibrational Level Spectroscopy
7. Molecular Motion and Vibrational Spectroscopy . . . . . . . . . . . 205
Harry G. Brittain
Introduction . . . . 205
Motion of Nuclei in Molecules . . . . 206
Rotation and Vibration in Diatomic Molecules . . . . 210
Vibrational Energy Levels and Spectroscopy of
Diatomic Molecules . . . . 213
Vibrational Energy Levels and Spectroscopy of the
Fundamental Transitions of Polyatomic Molecules . . . . 219
Spectroscopy of Transitions Associated with Overtones and
Combinations of Fundamental Vibrational Modes . . . . 227
Summary . . . . 231
References . . . . 232
8. Infrared Absorption Spectroscopy . . . . . . . . . . . . . . . . . . . . . . 235
David E. Bugay and Harry G. Brittain
Introduction . . . . 235
Some Fundamental Principles of IR Absorption Spectroscopy . . . . 236
Instrumentation for the Measurement of
IR Spectra in the Solid State . . . . 239
Applications of IR Spectroscopy to Areas of
Pharmaceutical Interest . . . . 246
References . . . . 265
9. Raman Spectroscopy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 271
David E. Bugay and Harry G. Brittain
Introduction . . . . 271
Some Fundamental Principles of the Raman Effect . . . . 272
Instrumentation for Measurement of Raman
Spectra in the Solid State . . . . 278
Group Frequency Correlations in Raman Spectroscopy
and Effects of the Solid State . . . . 283
Applications of Raman Spectroscopy to
Areas of Pharmaceutical Interest . . . . 286
References . . . . 309
10. Near-Infrared Spectroscopy . . . . . . . . . . . . . . . . . . . . . . . . . . . 313
Robert P. Cogdill and James K. Drennen, III
Introduction . . . . 313
Fundamental Principles . . . . 315
Practice of NIR Spectroscopy . . . . 344
Applications in Pharmaceutical Solids Analysis . . . . 389
References . . . . 406
Part V. Nuclear Spin Level Spectroscopy
11. Solid-State Nuclear Magnetic Resonance Spectrometry . . . . . . 413
Ales Medek
Fundamental Principles of NMR . . . . 413
SSNMR of Powder Solids . . . . 420
Pharmaceutically Relevant Applications of SSNMR . . . . 427
References . . . . 538
Spectroscopy of Pharmaceutical Solids