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Interpretation of Organic Spectra 1st Edition by Yong Cheng Ning, Richard Ernst 0470825162 9780470825167

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Interpretation of Organic Spectra 1st Edition Yong-Cheng Ning Digital Instant Download

Author(s): Yong-Cheng Ning
ISBN(s): 9780470825167, 0470825162
Edition: 1
File Details: PDF, 11.78 MB
Year: 2011
Language: english
SKU: EB-2356036 Category: Tag:

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ISBN 10: 0470825162 

ISBN 13: 9780470825167

Author: Yong-Cheng Ning, Richard R. Ernst 

 

Although there are a number of books in this field, most of them lack an introduction of comprehensive analysis of MS and IR spectra, and others do not provide up-to-date information like tandem MS. This book fills the gap. The merit of this book is that the author will not only introduce knowledge for analyzing nuclear magnetic resonance spectra including 1H spectra (Chapter 1), 13C spectra (Chapter 2) and 2D NMR spectra (Chapter 3), he also arms readers systemically with knowledge of Mass spectra (including EI MS spectra and MS spectra by using soft ionizations) (Chapter 4) and IR spectra (Chapter 5). In each chapter the author presents very practical application skills by providing various challenging examples. The last chapter (Chapter 6) provides the strategy, skills and methods on how to identify an unknown compound through a combination of spectra. Based on nearly 40 years researching and teaching experience, the author also proposes some original and creative ideas, which are very practical for spectral interpretation.

Interpretation of Organic Spectra 1st Table of contents:

1. Interpretation of 1H NMR Spectra
1.1 Chemical Shift
  1.1.1 Conception of Chemical Shift
  1.1.2 Factors Affecting Chemical Shifts
1.2 Coupling Constant J
  1.2.1 Coupling Effect and Coupling Constant J
  1.2.2 Discussion of Coupling Constants According to Their Kinds
1.3 Chemical Equivalence and Magnetic Equivalence
  1.3.1 Chemical Equivalence
  1.3.2 Magnetic Equivalence
  1.3.3 Classification of 1H Spectra
1.4 Characteristics of the 1H Spectra of Some Functional Groups
  1.4.1 Substituted Phenyl Ring
  1.4.2 Substituted Heteroaromatic Ring
  1.4.3 Normal Long-Chain Alkyl Group
  1.4.4 Carbonyl Compounds
  1.4.5 Reactive Hydrogen Atom
  1.4.6 Compounds Containing Fluorine or Phosphor Atoms
1.5 Interpretation of 1H NMR Spectra
  1.5.1 Identifying Impurity Peaks (Consider the Solvent Applied)
  1.5.2 Calculating the Unsaturation Number of the Unknown Compound
  1.5.3 Determining the Number of Hydrogen Atoms for Each Peak Set
  1.5.4 Determining Functional Groups of the Unknown Compound
  1.5.5 Analyzing the Coupling Splittings of Peak Sets
  1.5.6 Combining Possible Structural Units
  1.5.7 Assigning the 1H Spectrum Based on the Deduced Structure
  1.5.8 Verifying the Deduced Structure
1.6 Examples of 1H Spectrum Interpretation

Reference

2. Interpretation of 13C NMR Spectra
2.1 Characteristics and Advantages of 13C NMR Spectra
2.2 The Main Parameter of the 13C Spectrum: Chemical Shift
2.3 Chemical Shift Values of Common Functional Groups and Influencing Factors
  2.3.1 Alkanes and Their Derivatives
  2.3.2 Cycloalkanes and Their Derivatives
  2.3.3 Alkylenes and Their Derivatives
  2.3.4 Benzene and Its Derivatives
  2.3.5 Carbonyl Groups
2.4 Determination of Carbon Atom Orders
2.5 Steps for 13C NMR Spectrum Interpretation
  2.5.1 Recognizing Impurity Peaks and Identifying Solvent Peaks
  2.5.2 Calculating the Unsaturation Number of the Unknown Compound
  2.5.3 Considering the Chemical Shift Values of Peaks
  2.5.4 Determining Carbon Atom Orders
  2.5.5 Postulating Possible Functional Groups

3. Interpretation of 2D NMR Spectra
3.1 General Knowledge About 2D NMR Spectra
3.2 Homonuclear Shift Correlation Spectroscopy (COSY, H–H COSY)
3.3 Heteronuclear Shift Correlation Spectroscopy
3.4 Long-Range Heteronuclear Shift Correlation Spectroscopy
3.5 NOESY and ROESY
3.6 Total Correlation Spectroscopy (TOCSY)

References

4. Interpretation of Mass Spectra
4.1 Basic Knowledge of Organic Mass Spectrometry
  4.1.1 Mass Spectra
  4.1.2 Ionization in Organic Mass Spectrometry
  4.1.3 Ion Types in Organic Mass Spectrometry
4.2 Isotopic Ion Clusters in Mass Spectra
4.3 Interpretation of EI Mass Spectrometry (EI MS)
  4.3.1 Determination of the Molecular Ion Peak
  4.3.2 Interpretation of Fragment Ion Peaks
  4.3.3 Interpretation of Rearrangement Ion Peaks
  4.3.4 Complex Cleavages in Alicyclic Compounds
  4.3.5 Mass Spectrum Patterns of Common Functional Groups
  4.3.6 Interpretation of the EI Mass Spectrum and Examples
4.4 Interpretation of Mass Spectra from Soft Ionization
  4.4.1 Mass Spectra from ESI (Electrospray Ionization)
  4.4.2 Mass Spectra from CI
  4.4.3 Mass Spectra from FAB
  4.4.4 Mass Spectra from MALDI
  4.4.5 Mass Spectra from APCI
  4.4.6 Examples of Interpreting Mass Spectra from Soft Ionization
4.5 Interpretation of High-Resolution Mass Spectra
4.6 Interpretation of Mass Spectra from Tandem Mass Spectrometry

References

5. Interpretation of Infrared Spectra
5.1 Elementary Knowledge of Infrared Spectroscopy
  5.1.1 Infrared Spectrum
  5.1.2 Two Regions of the Infrared Spectrum
5.2 Characteristic Absorption Frequencies of Functional Groups
  5.2.1 Elemental Equation of IR Spectroscopy
  5.2.2 Factors Affecting Absorption Frequencies
  5.2.3 Characteristic Frequencies of Common Functional Groups
5.3 Discussion on the IR Spectrum by Regions
  5.3.1 Functional Group Region
  5.3.2 Fingerprint Region
5.4 Interpretation of IR Spectra by Regions
5.5 Interpretation of IR Spectra
  5.5.1 Key Points for IR Spectrum Interpretation
  5.5.2 Steps for Interpreting an IR Spectrum
  5.5.3 Searching for Standard IR Spectra from Collections or Websites
  5.5.4 Examples of IR Spectrum Interpretation

6. Identification of Unknown Compounds or Structure Confirmation through Comprehensive Spectral Interpretation
6.1 Common Methods and Steps
  6.1.1 1H Spectrum
  6.1.2 13C Spectrum
  6.1.3 DEPT Spectrum
  6.1.4 COSY Spectrum
  6.1.5 HMQC (or HSQC) Spectrum
  6.1.6 HMBC Spectrum
6.2 Examples for Deducing the Structure of an Unknown Compound or Confirming an Anticipated Structure

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