Organic stereochemistry: experimental and computational methods

Adopting a novel approach to the topic by combining theoretical knowledge and practical results, this book presents the most popular and useful computational and experimental methods applied for studying the stereochemistry of chemical reactions and compounds. The text is clearly divided into three sections on fundamentals, spectroscopic and computational techniques, and applications in organic synthesis. The first part provides a brief introduction to the field of chirality and stereochemistry, while the second part covers the different methodologies, such as optical rotation, electronic cir.

Cover; Title Page; Copyright; Contents; Preface; Acknowledgments; List of Abbreviations; Part I Fundamentals; Chapter 1 Chirality; 1.1 Introduction; 1.2 Tetrahedron of Carbon; 1.2.1 Terpenoids; 1.2.2 Flavonoids; 1.2.3 Alkaloids; 1.2.4 Steroids; 1.2.5 Glycosides; 1.2.6 Others; 1.3 Other Stereogenic Centers; 1.4 Optical Characteristics; 1.4.1 Measurement of OR; 1.4.2 ECD and Its Definition; 1.4.3 Outline of VCD; 1.4.4 Outline of ROA; References; Chapter 2 Non-optical Method in Configuration Study; 2.1 13C NMR Spectra; 2.1.1 NMR and Atomic Structure; 2.1.2 13C NMR Calculation; 2.1.3 1H NMR.

2.1.4 13C NMR Prediction and Conformational Search2.2 X-Ray Diffraction and Mosher Method; 2.2.1 X-Ray Diffraction; 2.2.2 Mosher Method; 2.3 Transition State Energy and Chirality Selectivity; 2.4 Separation of Chiral Compounds; 2.4.1 Chiral Organic Bases; 2.4.2 Chiral Organic Acids; 2.4.3 Chiral Organic Alcohols; 2.4.4 Others; References; Part II Techniques; Chapter 3 Optical Rotation (Rotatory Dispersion, ORD); 3.1 Introduction; 3.2 Quantum Theory; 3.3 Matrix Model; 3.3.1 Matrix Basis; 3.3.2 Explanation of General OR Characteristics; 3.3.2.1 Sample Calculations.

3.3.2.2 Calculated Values in Sam…