Atnaujinkite slapukų nuostatas

VCD Spectroscopy for Organic Chemists [Minkštas viršelis]

  • Formatas: Paperback / softback, 370 pages, aukštis x plotis: 234x156 mm, weight: 544 g
  • Išleidimo metai: 19-Sep-2019
  • Leidėjas: CRC Press
  • ISBN-10: 0367381206
  • ISBN-13: 9780367381202
Kitos knygos pagal šią temą:
  • Formatas: Paperback / softback, 370 pages, aukštis x plotis: 234x156 mm, weight: 544 g
  • Išleidimo metai: 19-Sep-2019
  • Leidėjas: CRC Press
  • ISBN-10: 0367381206
  • ISBN-13: 9780367381202
Kitos knygos pagal šią temą:

Stimulated by the increasing importance of chiral molecules as pharmaceuticals and the need for enantiomerically pure drugs, techniques in chiral chemistry have been expanded and refined, especially in the areas of chromatography, asymmetric synthesis, and spectroscopic methods for chiral molecule structural characterization. In addition to synthetic chiral molecules, naturally occurring molecules, which are invariably chiral and generally enantiomerically enriched, are of potential interest as leads for new drugs.





VCD Spectroscopy for Organic Chemists discusses the applications of vibrational circular dichroism (VCD) spectroscopy to the structural characterization of chiral organic molecules. The book provides all of the information about VCD spectroscopy that an organic chemist needs in order to make use of the technique. The authors, experts responsible for much of the existing literature in this field, discuss the experimental measurement of VCD and the theoretical prediction of VCD. In addition, they evaluate the advantages and limitations of the technique in determining molecular structure.





Given the availability of commercial VCD instrumentation and quantum chemistry software, it became possible in the late 1990s for chemists to use VCD in elucidating the stereochemistries of chiral organic molecules. This book helps organic chemists become more aware of the utility of VCD spectroscopy and provides them with sufficient knowledge to incorporate the technique into their own research.

Preface ix
Chapter 1 Introduction to Vibrational Circular Dichroism
1(12)
References
8(5)
Chapter 2 The Experimental Measurement of Vibrational Absorption and Vibrational Circular Dichroism Spectra
13(36)
Vibrational Absorption Measurement
13(7)
VCD Measurement
20(4)
IR Absorption and VCD Spectra of Specific Molecules
24(1)
Camphor
25(4)
α-Pinene
29(6)
Conclusions
35(11)
References
46(3)
Chapter 3 The Theory of IR and VCD Spectra
49(10)
References
58(1)
Chapter 4 Ab Initio Methods
59(22)
Molecular Orbital Theory
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)
Functionals for DFT
69(2)
Computational Procedures
71(2)
Integration Grids
73(1)
IR and VCD Spectra Calculation
73(3)
References
76(5)
Chapter 5 Conformational Analysis
81(33)
References
114(1)
Chapter 6 Analyses of the IR and VCD Spectra of Conformationally Rigid Molecules
115(1)
Camphor
116(14)
α-Pinene
130(16)
Methyloxirane
146(15)
Conclusions
161(1)
Determination of Absolute Configuration
162(3)
References
165(2)
Chapter 7 Applications of VCD Spectroscopy to Organic Chemistry
167(122)
Introduction
167(4)
References
169(2)
Troger's Base
171(15)
References
185(1)
2-(1-Hydroxyethyl)-Chromen-4-One and Its 6-Br Derivative
186(8)
Experimental IR and VCD Spectra
187(1)
Conformational Analysis
188(3)
Analysis of the IR and VCD Spectra
191(3)
References
194(1)
The Supramolecular Tetramer of 2,2'-Dimethyl-Biphenyl-6,6'-Dicarboxylic Acid
194(5)
References
199(1)
Trans-Para-Methyl-Phenyl-Glycidic Acid
199(7)
Conformational Analysis
200(2)
Analysis of the IR and VCD Spectra
202(4)
References
206(1)
The Cytotoxic Sesquiterpene Natural Product, Quadrone
206(13)
Conformational Analysis
207(2)
Analysis of the IR and VCD Spectra
209(7)
References
216(3)
A Chiral Oxadiazol-3-One Calcium Channel Blocker
219(6)
References
225(1)
The Alkaloid Natural Product, Schizozygine
225(7)
Experimental IR and VCD Spectra
225(1)
Conformational Analysis
225(3)
Calculated IR and VCD Spectra
228(3)
References
231(1)
The Iridoid Natural Product, Plumericin
232(8)
Experimental IR and VCD Spectra
232(1)
Conformational Analysis
233(3)
Calculated IR and VCD Spectra
236(3)
References
239(1)
The Chiral Alkane, D3-Anti-Trans-Anti-Trans-Anti-Trans-Perhydrotriphenylene
240(16)
References
254(2)
The Isotopically Chiral Sulfoxide, Perdeuteriophenyl-Phenyl-Sulfoxide
256(6)
Experimental IR and VCD Spectra
257(1)
Conformational Analysis
257(1)
Analysis of the IR and VCD Spectra
258(2)
References
260(2)
The Sex Pheromone of the Obscure Mealybug
262(2)
References
263(1)
A Thia-Bridged Triarylamine Heterohelicene
264(8)
Reference
269(3)
Enone Precursor to Nor-Suberosenone and Nor-Suberosanone
272(15)
Conformational Analysis
273(1)
Analysis of the IR and VCD Spectra
274(12)
References
286(1)
Conclusions
287(2)
Bibliography 289(56)
Index 345
Philip John Stephens and Frank J. Devlin are with the University of Southern California in Los Angeles. James R. Cheeseman works with Gaussian, Inc. in Wallingford, Connecticut.