Contributors |
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xv | |
Volumes in Series |
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xvii | |
Preface |
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xxi | |
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1 | (10) |
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1 | (3) |
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4 | (4) |
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8 | (3) |
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9 | (2) |
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2 Theoretical Concepts in Spectrophotometric Measurements |
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11 | (56) |
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12 | (1) |
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2.2 Radiometric Quantities |
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13 | (7) |
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2.2.1 Nonspectral Quantities |
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13 | (5) |
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2.2.2 Spectral Quantities |
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18 | (1) |
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2.2.3 Spectrally Weighted Quantities |
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19 | (1) |
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2.3 Relationship Between Radiometric and Electromagnetic Quantities |
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20 | (6) |
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2.3.1 Plane Waves and Irradiance |
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23 | (1) |
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2.3.2 Spherical Waves and Intensity |
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24 | (1) |
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2.3.3 Fourier Expansion and Radiance |
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25 | (1) |
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2.4 The Spectrophotometric Quantities |
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26 | (13) |
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2.4.1 Generalized Scattering Functions |
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27 | (1) |
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2.4.2 Bidirectional Reflectance Distribution Function |
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28 | (2) |
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2.4.3 Reflectance and Transmittance |
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30 | (2) |
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2.4.4 Two Ideal Bidirectional Reflectance Distribution Functions |
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32 | (2) |
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34 | (2) |
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2.4.6 Fluorescence: Bispectral Luminescent Radiance Factor |
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36 | (2) |
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2.4.7 Emittance and the Kirchhoff Relationship |
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38 | (1) |
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39 | (4) |
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2.6 Reflection and Transmission from Flat Surfaces |
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43 | (9) |
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2.6.1 Snell's Law of Refraction |
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43 | (1) |
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44 | (4) |
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48 | (1) |
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49 | (3) |
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52 | (15) |
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2.7.1 Volume Scattering: Theory of Kubelka and Munk |
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52 | (2) |
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2.7.2 Roughness: Facet Scattering Model |
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54 | (5) |
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2.7.3 Roughness: First-Order Vector Perturbation Theory |
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59 | (6) |
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65 | (2) |
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67 | (30) |
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67 | (2) |
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69 | (13) |
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70 | (4) |
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74 | (4) |
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78 | (3) |
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81 | (1) |
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3.3 Spectral Analyzer Design |
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82 | (2) |
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3.3.1 Monochromator Design |
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82 | (2) |
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3.3.2 Polychromator Design |
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84 | (1) |
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3.4 Wavelength Calibration |
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84 | (3) |
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87 | (1) |
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3.6 Optical Radiation Sources |
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88 | (2) |
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3.7 Optical Radiation Detectors |
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90 | (7) |
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94 | (3) |
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4 Fourier Transform Methods |
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97 | (46) |
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4.1 Introduction: Ideal Michelson Interferometer |
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98 | (3) |
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4.2 Real Fourier Transform Spectrometers |
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101 | (22) |
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4.2.1 Finite Scan Length and Source Size: Spectral Resolution |
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101 | (5) |
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4.2.2 Sampling the Interferogram: Spectral Bandwidth |
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106 | (1) |
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4.2.3 Phase Error and Phase Correction |
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107 | (3) |
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4.2.4 FTS Versus Dispersive Instruments |
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110 | (4) |
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4.2.5 FTS Design Considerations |
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114 | (7) |
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4.2.6 Instrument Design Examples |
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121 | (2) |
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4.3 Sources of Uncertainty and Their Reduction |
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123 | (13) |
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124 | (1) |
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4.3.2 Interferometer Alignment Drift |
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124 | (1) |
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125 | (1) |
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4.3.4 Detector Nonlinearity |
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126 | (3) |
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129 | (1) |
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130 | (2) |
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4.3.7 Beam Geometry Errors |
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132 | (1) |
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4.3.8 Polarization Effects |
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133 | (1) |
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134 | (1) |
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4.3.10 Atmospheric Absorption |
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134 | (1) |
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4.3.11 Wavenumber Uncertainty |
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135 | (1) |
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4.4 Measurement Applications |
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136 | (2) |
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4.4.1 Measurement of Transmittance and Reflectance |
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136 | (1) |
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4.4.2 Measurement of Refractive Index |
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137 | (1) |
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4.4.3 Assessment of the Accuracy of FTS Measurements |
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137 | (1) |
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4.5 Recommendations for Accurate FTS Measurements |
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138 | (5) |
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4.5.1 Matching Instrument to Measurement Requirements |
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138 | (1) |
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4.5.2 Instrument Software and Data Handling |
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139 | (1) |
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4.5.3 Maintenance of Measurement Traceability |
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139 | (1) |
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140 | (3) |
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5 Regular Reflectance and Transmittance |
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143 | (36) |
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144 | (1) |
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5.2 Relevant Background Information |
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144 | (6) |
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5.2.1 Measurement Geometry |
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144 | (1) |
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5.2.2 Measurement Equation |
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145 | (1) |
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5.2.3 Evaluation of Measurement Uncertainty |
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146 | (1) |
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5.2.4 The Role of Integrating Spheres |
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147 | (1) |
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5.2.5 Avoiding Spectral Artifacts |
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148 | (2) |
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5.3 Measurements Near-Normal Incidence |
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150 | (8) |
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5.3.1 Typical Configurations for Near-Normal Reflection Measurements |
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151 | (2) |
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5.3.2 Measuring the Transmittance and Reflectance of Coated Substrates |
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153 | (1) |
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5.3.3 Measuring Very Low Reflectance Materials |
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153 | (1) |
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5.3.4 Measuring Specular Reflectance with an FTIR |
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154 | (2) |
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5.3.5 Tools for Absolute Reflectance and Transmittance Measurements |
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156 | (2) |
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5.4 Measurements at Oblique Incidence |
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158 | (13) |
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159 | (4) |
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5.4.2 Directional Transmittance Measurements |
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163 | (3) |
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5.4.3 Relative Directional Reflection Measurements |
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166 | (3) |
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5.4.4 Absolute Directional Reflection Measurements |
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169 | (2) |
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5.5 Measuring the Reflectance of Highly Reflecting Materials |
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171 | (8) |
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172 | (3) |
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175 | (2) |
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177 | (2) |
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6 Diffuse Reflectance and Transmittance |
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179 | (42) |
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180 | (2) |
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182 | (2) |
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182 | (1) |
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182 | (1) |
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183 | (1) |
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183 | (1) |
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6.2.5 Relationship Between Reflectance, Transmittance, and Absorptance |
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184 | (1) |
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6.3 Notation of Diffuse Reflection Geometries |
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184 | (3) |
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6.3.1 Recommended Integrating Sphere Geometries |
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186 | (1) |
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187 | (6) |
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6.4.1 Historic Information |
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189 | (1) |
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190 | (1) |
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6.4.3 Construction Principles |
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190 | (1) |
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6.4.4 Internal Coating Materials |
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191 | (1) |
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192 | (1) |
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6.5 Absolute Sphere Methods for Measuring Diffuse Reflection |
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193 | (10) |
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6.5.1 Basic Considerations |
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193 | (2) |
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6.5.2 Method of Taylor (First Taylor) and Benford |
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195 | (2) |
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6.5.3 Method of Taylor (Third Taylor) |
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197 | (1) |
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6.5.4 Method of Sharp-Little |
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198 | (1) |
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6.5.5 Method of van den Akker |
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199 | (1) |
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6.5.6 Method of Korte--Schmidt |
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200 | (2) |
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202 | (1) |
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203 | (1) |
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6.6 Diffuse Reflection Standards |
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203 | (9) |
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204 | (1) |
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6.6.2 Common Diffuse Reflection Standards |
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205 | (5) |
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6.6.3 Fluorescence of Diffuse Reflection Standards |
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210 | (1) |
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6.6.4 Handling Recommendations |
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211 | (1) |
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6.7 Relative Sphere Methods for Measuring Diffuse Reflection |
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212 | (2) |
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6.8 Diffuse Transmittance Measurements |
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214 | (7) |
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216 | (5) |
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7 Spectral Fluorescence Measurements |
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221 | (70) |
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222 | (2) |
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7.1.1 Fluorescence Measurement Applications |
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223 | (1) |
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7.2 Fundamental Concepts and Terminology |
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224 | (14) |
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7.2.1 Quantities Common to Analytical and Colorimetric Applications |
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225 | (5) |
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7.2.2 Specific to Analytical Applications |
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230 | (2) |
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7.2.3 Specific to Colorimetric Applications |
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232 | (6) |
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7.3 Measurement of Fluorescence Characteristics |
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238 | (2) |
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7.3.1 Bispectral Measurements |
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238 | (1) |
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7.3.2 Abridged Measurements |
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239 | (1) |
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7.4 General Instrument Design and Measurement Considerations |
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240 | (4) |
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7.4.1 Instrument Components |
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240 | (1) |
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7.4.2 Spectral Measurement Methods |
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241 | (2) |
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7.4.3 General Considerations and Good Laboratory Practices |
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243 | (1) |
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7.5 Specialized Instrument Designs and Measurement Methods |
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244 | (16) |
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7.5.1 Analytical Applications |
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244 | (3) |
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7.5.2 Colorimetric Applications |
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247 | (9) |
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7.5.3 Quantum Yield Measurements |
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256 | (4) |
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7.6 Instrument Characteristics That Impact Spectral Fluorescence Measurements |
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260 | (14) |
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7.6.1 Spectral Characteristics |
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260 | (4) |
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7.6.2 Detector Nonlinearity |
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264 | (2) |
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7.6.3 Polarization Effects |
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266 | (3) |
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269 | (1) |
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7.6.5 Instrument Lineshape |
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270 | (1) |
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271 | (3) |
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7.7 Sample Characteristics That Impact Fluorescence Measurements |
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274 | (4) |
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274 | (1) |
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7.7.2 Solvent/Matrix Properties |
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275 | (1) |
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275 | (1) |
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276 | (1) |
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7.7.5 Luminescence Lifetime |
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277 | (1) |
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277 | (1) |
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7.8 Standards for Spectral Fluorescence Measurements |
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278 | (13) |
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7.8.1 Correcting Relative Excitation and Emission Spectra |
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278 | (5) |
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7.8.2 Intensity Verification Standards |
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283 | (1) |
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7.8.3 Fluorescent Color Standards |
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284 | (2) |
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7.8.4 Quantum Yield Standards |
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286 | (1) |
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287 | (4) |
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8 Angle-Resolved Diffuse Reflectance and Transmittance |
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291 | (42) |
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292 | (2) |
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8.2 Reference-Free Measurement Methods |
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294 | (7) |
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8.2.1 The Over-Illumination Method |
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295 | (2) |
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8.2.2 The Under-Illumination Method |
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297 | (4) |
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8.3 Instrument Characterization |
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301 | (3) |
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8.3.1 The Instrument Signature |
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301 | (2) |
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8.3.2 Noise-Equivalent BRDF |
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303 | (1) |
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8.3.3 Profile of Illumination Spot |
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303 | (1) |
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304 | (1) |
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8.3.5 Detector Location Sensitivity |
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304 | (1) |
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304 | (1) |
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304 | (7) |
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8.4.1 In-Plane Scatterometer Designs |
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304 | (1) |
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8.4.2 Out-of-Plane Scatterometer Designs |
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305 | (4) |
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8.4.3 Multichannel Systems |
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309 | (2) |
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311 | (4) |
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8.6 Normalization Schemes |
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315 | (1) |
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8.6.1 Relative Normalization |
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315 | (1) |
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8.6.2 Specular Normalization |
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316 | (1) |
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8.7 Special Conditions or Considerations |
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316 | (1) |
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316 | (1) |
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316 | (1) |
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316 | (1) |
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8.7.4 Transmission Measurements |
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317 | (1) |
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317 | (16) |
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318 | (1) |
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8.8.2 Integration of BRDF |
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318 | (3) |
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8.8.3 Diffuse Black Paint |
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321 | (1) |
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8.8.4 Characterization of Surface Roughness |
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322 | (3) |
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8.8.5 Scattering Characterization of Anisotropic Surface Structures |
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325 | (1) |
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8.8.6 Predicting Out-of-Plane BRDF from In-Plane BRDF |
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326 | (2) |
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328 | (5) |
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9 Spectral Emissivity Measurements |
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333 | (34) |
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334 | (2) |
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336 | (2) |
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9.3 Spectral Emissivity Measurements Near-Ambient Temperature |
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338 | (7) |
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9.3.1 Measurement Apparatus Based on the Blackbody Comparison Method |
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338 | (2) |
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9.3.2 Calibration of the System Response |
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340 | (2) |
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9.3.3 Correction for Reflected Radiance of the Surroundings |
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342 | (1) |
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9.3.4 Traceability and Uncertainty of Spectral Emissivity Measurements |
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342 | (3) |
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9.4 Spectral Emissivity and Reflectance Measurements of Oxidized Metals |
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345 | (4) |
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9.4.1 A Broad-Spectral-Range High-Speed Spectrophotometer System |
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345 | (4) |
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9.5 Spectral Emissivity Measurements of Molten Metals at High Temperatures |
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349 | (8) |
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9.5.1 Importance of Molten Metal Emissivity Data |
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349 | (2) |
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9.5.2 Spectral Emissivity Measurements Based on Containerless Techniques |
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351 | (6) |
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9.6 Spectral Emissivity Measurements of Ceramics |
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357 | (10) |
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362 | (5) |
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367 | (42) |
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367 | (1) |
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10.2 Spectral Attributes---Color |
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368 | (15) |
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368 | (2) |
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370 | (6) |
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376 | (1) |
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10.2.4 Chromaticity Coordinates and Color Spaces |
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377 | (3) |
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10.2.5 Color Difference Metrics |
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380 | (3) |
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10.3 Color-Measuring Instruments |
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383 | (11) |
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10.3.1 Geometric Considerations |
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385 | (4) |
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10.3.2 Source Considerations |
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389 | (1) |
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10.3.3 Detection and Signal Processing Considerations |
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390 | (2) |
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392 | (2) |
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10.4 Gonioapparent Materials |
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394 | (2) |
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10.5 Geometrical Attributes |
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396 | (13) |
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397 | (3) |
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400 | (3) |
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10.5.3 Distinctness of Image |
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403 | (1) |
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404 | (5) |
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11 The Use of Spectrophotometry in the Pharmaceutical Industry |
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409 | (48) |
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410 | (1) |
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11.2 Introduction to the Pharmaceutical Industry |
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410 | (4) |
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11.2.1 Process Analytical Technology |
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411 | (1) |
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411 | (1) |
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11.2.3 Product Development Cycle |
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412 | (1) |
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11.2.4 Discovery Research |
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412 | (2) |
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11.3 Quality System for the Analytical Laboratory |
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414 | (5) |
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11.3.1 Consideration for Quality Systems in Data Quality Assurance/Control |
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414 | (5) |
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11.4 UV and Visible Spectrophotometry |
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419 | (14) |
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11.4.1 Qualification of UV and Visible Spectrophotometers |
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421 | (9) |
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11.4.2 Validation and Verification |
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430 | (1) |
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11.4.3 Pharmaceutical Applications (UV--vis) |
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430 | (3) |
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433 | (7) |
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11.5.1 Factors That Affect NIR Spectra |
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434 | (1) |
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435 | (1) |
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11.5.3 Qualification of NIR Instruments |
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435 | (3) |
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438 | (1) |
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11.5.5 Pharmaceutical Applications (NIR) |
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439 | (1) |
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440 | (6) |
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11.6.1 Qualification of IR Spectrophotometers |
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441 | (4) |
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11.6.2 Validation and Verification |
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445 | (1) |
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11.6.3 Pharmaceutical Applications (Mid-IR) |
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445 | (1) |
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11.7 Fluorescence Spectrometry |
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446 | (8) |
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11.7.1 Qualification of Fluorescence Instruments |
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447 | (6) |
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11.7.2 Validation and Verification |
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453 | (1) |
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11.7.3 Pharmaceutical Applications (Fluorescence) |
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454 | (1) |
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454 | (3) |
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455 | (2) |
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12 Spectrophotometry Applications: Remote Sensing |
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457 | (32) |
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458 | (1) |
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12.2 Measurement of Atmospheric Carbon Dioxide |
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458 | (6) |
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12.3 The Remote Sensing of Clouds in the Earth's Atmosphere |
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464 | (6) |
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465 | (1) |
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12.3.2 The Spectrophotometry of Clouds: Forward Problem |
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466 | (2) |
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12.3.3 The Spectrophotometry of Clouds: Inverse Problems |
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468 | (1) |
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12.3.4 The Nakajima and King Approach for Plane-Parallel Clouds |
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468 | (1) |
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12.3.5 The Optical Depth of Thin Clouds in General |
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469 | (1) |
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12.3.6 The Optical Depth of Thick Clouds |
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469 | (1) |
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469 | (1) |
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12.3.8 Cloud Motion Vectors |
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470 | (1) |
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12.4 The Retrieval of Snow Properties |
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470 | (5) |
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471 | (1) |
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471 | (1) |
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472 | (1) |
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12.4.4 Radiative Forcing of Light-Absorbing Impurities in Snow |
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473 | (1) |
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12.4.5 Benefits of Imaging Spectroscopy in Combination with Other Observations for Snow Remote Sensing |
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474 | (1) |
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475 | (4) |
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12.5.1 Early Remote Sensing Methods |
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475 | (1) |
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12.5.2 Applications and Relevance |
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475 | (2) |
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12.5.3 Imaging of Volcanic Landforms, Eruption Detection, and Degassing |
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477 | (2) |
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479 | (2) |
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481 | (8) |
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482 | (1) |
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483 | (6) |
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13 Microspectrophotometry |
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489 | (30) |
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489 | (1) |
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13.2 Microspectrophotometer Instrument Design and Construction |
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490 | (6) |
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491 | (2) |
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13.2.2 The Spectrophotometer |
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493 | (1) |
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13.2.3 Computer Interface and Software Control |
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494 | (1) |
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13.2.4 MSP System Capabilities |
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495 | (1) |
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13.3 Using the MSP System |
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496 | (2) |
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13.4 Current Applications of MSP in Industry and Research |
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498 | (17) |
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13.4.1 Forensic Applications of MSP |
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498 | (4) |
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13.4.2 Microspot Thin-Film Thickness |
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502 | (2) |
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13.4.3 Graphene and Carbon Nanotubes |
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504 | (1) |
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13.4.4 Heavy Element Chemistry |
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505 | (1) |
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506 | (1) |
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13.4.6 Cellulosic Nanomaterials |
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507 | (1) |
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13.4.7 The MSP Analysis of Gemstones and Glass Fragments |
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508 | (4) |
|
13.4.8 Identifying Protein Crystals |
|
|
512 | (2) |
|
13.4.9 Gold and Silver Nanomaterials |
|
|
514 | (1) |
|
|
515 | (4) |
|
|
516 | (3) |
Index |
|
519 | |