Preface |
|
ix | |
|
Chapter 1 Introduction to Vibrational Circular Dichroism |
|
|
1 | (12) |
|
|
8 | (5) |
|
Chapter 2 The Experimental Measurement of Vibrational Absorption and Vibrational Circular Dichroism Spectra |
|
|
13 | (36) |
|
Vibrational Absorption Measurement |
|
|
13 | (7) |
|
|
20 | (4) |
|
IR Absorption and VCD Spectra of Specific Molecules |
|
|
24 | (1) |
|
|
25 | (4) |
|
|
29 | (6) |
|
|
35 | (11) |
|
|
46 | (3) |
|
Chapter 3 The Theory of IR and VCD Spectra |
|
|
49 | (10) |
|
|
58 | (1) |
|
Chapter 4 Ab Initio Methods |
|
|
59 | (22) |
|
|
60 | (3) |
|
Application of Analytical Derivative DFT Techniques to the Calculation of Forces, Hessian, APTs, and AATs |
|
|
63 | (3) |
|
Origin Dependence of the AATs |
|
|
66 | (1) |
|
Classification of Basis Sets |
|
|
67 | (2) |
|
|
69 | (2) |
|
|
71 | (2) |
|
|
73 | (1) |
|
IR and VCD Spectra Calculation |
|
|
73 | (3) |
|
|
76 | (5) |
|
Chapter 5 Conformational Analysis |
|
|
81 | (33) |
|
|
114 | (1) |
|
Chapter 6 Analyses of the IR and VCD Spectra of Conformationally Rigid Molecules |
|
|
115 | (1) |
|
|
116 | (14) |
|
|
130 | (16) |
|
|
146 | (15) |
|
|
161 | (1) |
|
Determination of Absolute Configuration |
|
|
162 | (3) |
|
|
165 | (2) |
|
Chapter 7 Applications of VCD Spectroscopy to Organic Chemistry |
|
|
167 | (122) |
|
|
167 | (4) |
|
|
169 | (2) |
|
|
171 | (15) |
|
|
185 | (1) |
|
2-(1-Hydroxyethyl)-Chromen-4-One and Its 6-Br Derivative |
|
|
186 | (8) |
|
Experimental IR and VCD Spectra |
|
|
187 | (1) |
|
|
188 | (3) |
|
Analysis of the IR and VCD Spectra |
|
|
191 | (3) |
|
|
194 | (1) |
|
The Supramolecular Tetramer of 2,2'-Dimethyl-Biphenyl-6,6'-Dicarboxylic Acid |
|
|
194 | (5) |
|
|
199 | (1) |
|
Trans-Para-Methyl-Phenyl-Glycidic Acid |
|
|
199 | (7) |
|
|
200 | (2) |
|
Analysis of the IR and VCD Spectra |
|
|
202 | (4) |
|
|
206 | (1) |
|
The Cytotoxic Sesquiterpene Natural Product, Quadrone |
|
|
206 | (13) |
|
|
207 | (2) |
|
Analysis of the IR and VCD Spectra |
|
|
209 | (7) |
|
|
216 | (3) |
|
A Chiral Oxadiazol-3-One Calcium Channel Blocker |
|
|
219 | (6) |
|
|
225 | (1) |
|
The Alkaloid Natural Product, Schizozygine |
|
|
225 | (7) |
|
Experimental IR and VCD Spectra |
|
|
225 | (1) |
|
|
225 | (3) |
|
Calculated IR and VCD Spectra |
|
|
228 | (3) |
|
|
231 | (1) |
|
The Iridoid Natural Product, Plumericin |
|
|
232 | (8) |
|
Experimental IR and VCD Spectra |
|
|
232 | (1) |
|
|
233 | (3) |
|
Calculated IR and VCD Spectra |
|
|
236 | (3) |
|
|
239 | (1) |
|
The Chiral Alkane, D3-Anti-Trans-Anti-Trans-Anti-Trans-Perhydrotriphenylene |
|
|
240 | (16) |
|
|
254 | (2) |
|
The Isotopically Chiral Sulfoxide, Perdeuteriophenyl-Phenyl-Sulfoxide |
|
|
256 | (6) |
|
Experimental IR and VCD Spectra |
|
|
257 | (1) |
|
|
257 | (1) |
|
Analysis of the IR and VCD Spectra |
|
|
258 | (2) |
|
|
260 | (2) |
|
The Sex Pheromone of the Obscure Mealybug |
|
|
262 | (2) |
|
|
263 | (1) |
|
A Thia-Bridged Triarylamine Heterohelicene |
|
|
264 | (8) |
|
|
269 | (3) |
|
Enone Precursor to Nor-Suberosenone and Nor-Suberosanone |
|
|
272 | (15) |
|
|
273 | (1) |
|
Analysis of the IR and VCD Spectra |
|
|
274 | (12) |
|
|
286 | (1) |
|
|
287 | (2) |
Bibliography |
|
289 | (56) |
Index |
|
345 | |