Determination of Organic Structures by Physical Methods V3
- 1st Edition - December 3, 2012
- Editor: F.C. Nachod
- Language: English
- Paperback ISBN:9 7 8 - 0 - 1 2 - 4 1 4 5 2 6 - 9
- 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, 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
- Edition: 1
- Published: December 3, 2012
- Language: English
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