Determination of Organic Structures by Physical Methods V3

Determination of Organic Structures by Physical Methods V3

1st Edition - January 28, 1971

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  • Editor: F.C. Nachod
  • eBook ISBN: 9780323148450

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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.

Table of Contents

  • List of Contributors


    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


    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


    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


    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


    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


    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


    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


    Author Index

    Subject Index

Product details

  • No. of pages: 487
  • Language: English
  • Copyright: © Academic Press 1971
  • Published: January 28, 1971
  • Imprint: Academic Press
  • eBook ISBN: 9780323148450

About the Editor

F.C. Nachod

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