VCD Spectroscopy for Organic Chemists (Hardcover)

Introduction to Vibrational Circular Dichroism

The Experimental Measurement of Vibrational Absorption and Vibrational Circular Dichroism Spectra
Vibrational Absorption Measurement
VCD Measurement
IR Absorption and VCD Spectra of Specific Molecules
Camphor
α-Pinene

The Theory of IR and VCD Spectra

Ab Initio Methods
Molecular Orbital Theory
Application of Analytical Derivative DFT Techniques to the Calculation of Forces, Hessian, APTs, and AATs
Origin Dependence of the AATs
Classification of Basis Sets
Functionals for DFT
Computational Procedures
Integration Grids
IR and VCD Spectra Calculation

Conformational Analysis

Analyses of the IR and VCD Spectra of Conformationally Rigid Molecules
Camphor
α-Pinene
Methyloxirane
Determination of Absolute Configuration

Applications of VCD Spectroscopy to Organic Chemistry
Troger’s Base
2-(1-Hydroxyethyl)-Chromen-4-One and Its 6-Br Derivative
The Supramolecular Tetramer of 2,2'-Dimethyl-Biphenyl-6,6'-Dicarboxylic Acid
Trans-Para-Methyl-Phenyl-Glycidic Acid
The Cytotoxic Sesquiterpene Natural Product, Quadrone
A Chiral Oxadiazol-3-One Calcium Channel Blocker
The Alkaloid Natural Product, Schizozygine
The Iridoid Natural Product, Plumericin
The Chiral Alkane, D₃-Anti-Trans-Anti-Trans-Anti-Trans-Perhydrotriphenylene
The Isotopically Chiral Sulfoxide, Perdeuteriophenyl-Phenyl-Sulfoxide
The Sex Pheromone of the Obscure Mealybug
A Thia-Bridged Triarylamine Heterohelicene
Enone Precursor to Nor-Suberosenone and Nor-Suberosanone