Determination of Organic Structures by Physical Methods V3

1st Edition - January 28, 1971
Editor: F.C. Nachod
Language: English
eBook ISBN:
9 7 8 - 0 - 3 2 3 - 1 4 8 4 5 - 0

Determination of Organic Structures by Physical Methods, Volume 3 is a seven-chapter text that describes the refinements of some established physical methods for organic structure… Read more

Determination of Organic Structures by Physical Methods V3

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Determination of Organic Structures by Physical Methods, Volume 3 is a seven-chapter text that describes the refinements of some established physical methods for organic structure determination. Each chapter of this book examines specific physical method, including photoelectron spectroscopy, X-ray diffraction, optical rotary dispersion, circular dichroism, mass spectrometry, and electron spin resonance and NMR spectroscopies. The historical developments, instrumentation, and applications to organic chemistry of these methods are discussed. This work will be of value to organic and analytical chemists and researchers.

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