Determination of Organic Structures by Physical Methods V3

List of Contributors Preface Contents of Other Volumes 1. Photoelectron Spectroscopy I. Introduction II. Historical Development and Instrumentation III. Comparison of the Various Techniques for Measuring I.P.'s IV. Relationship between Photoelectron Spectroscopy and the Electronic Structure of Molecules V. Complications in Photoelectron Spectra VI. Applications to Organic Chemistry VII. Conclusions References 2. X-Ray Diffraction I. Introduction II. Intensity Measurements and Structure Factor Amplitudes III. The Phase Problem IV. Reliability of Structural Results V. Charge Density and Thermal Motion VI. Concluding Remarks References 3. Optical Rotatory Dispersion and Circular Dichroism in Organic Chemistry I. Introduction II. Definitions III. Solvent and Temperature Effects on RD and CD Curves IV. Functions and Chromophoric Derivatives V. Functional Groups VI. Conclusions References 4. Thermochemistry I. Introduction II. Temperature Measurement III. Heats of Combustion IV. Heats of Reaction V. Bond Dissociation Energies: Heats of Formation of Reactive Intermediates VI. Empirical Estimation of Heats of Formation VII. The Classical Mechanical Approach VIII. The Quantum Mechanical Approach IX. Applications of Thermochemical Data References 5. Mass Spectrometry I. Introduction II. The Mass Spectrometer III. The Width of "Metastable Peaks" IV. Reaction Rates and Internal Energy V. Substituent Effects VI. Ion Structures VII. Structure Elucidation of Natural Products VIII. Summary References 6. Electron Spin Resonance Spectroscopy I. Introduction II. Synthesis of Electron Spin Labels in Organic Molecules III. Side Reactions in the Synthesis of Spin Labels IV. Hyperfine Splitting by Hydrogen Atoms to a Paramagnetic Center V. Hyperfine Splitting by Atoms with Unpaired Spin Density VI. Hyperfine Splittings by Atoms Alpha to a Spin Label VII. Long Range Hyperfine Splittings by Hydrogen Atoms VIII. Long Range Hyperfine Splittings by Atoms Other than Hydrogen IX. Conclusions References 7. Configuration and Conformation By NMR I. Introduction II. Time-Dependent (Averaging) Effects in NMR and the Determination of Kinetic Parameters III. Determination of the Number and Relative Amounts of Enantiomers, Diastereomers, and Geometrical Isomers IV. Determination of the Number and Relative Amounts of Conformers V. Use of Symmetry Properties VI. Use of the Chemical Shift VII. Use of Coupling Constants VIII. Use of Nuclear Overhauser Effects IX. Conformational and Configurational Barriers References Author Index Subject Index