Interpretation of Organic Spectra

Name: Interpretation of Organic Spectra
Brand: Wiley
Price: 83.99 EUR
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Yong-Cheng Ning(Autor*in)

Wiley (Verlag)

Erschienen am 9. Mai 2011

424 Seiten

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Interpretation of Organic Spectra
Contents
Foreword
Preface
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 Find Impurity Peaks, Pay Attention to the Solvent Applied
1.5.2 Calculation of the Unsaturation Number of the Unknown Compound
1.5.3 Determination of the Number of Hydrogen Atoms Corresponding to Every Peak Set in the ¹H Spectrum
1.5.4 Determination of Functional Groups of the Unknown Compound
1.5.5 Analysis of Coupling Splittings of Peak Sets
1.5.6 Combination of Possible Structural Units
1.5.7 Assignment of the ¹H spectrum According to the Deduced Structure
1.5.8 Checking of the Deduced Structure
1.6 Examples of ¹H Spectrum Interpretation
Reference
2 Interpretation of ¹³C NMR Spectra
2.1 Characteristics and Advantages of the 13C NMR Spectra
2.2 The Main Parameter of the ¹³C Spectrum is the Chemical Shift
2.3 Chemical Shift Values of Common Functional Groups and Main Factors Affecting Chemical Shift Values
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 the Carbon Atom Orders
2.5 Steps for ¹³C NMR Spectrum Interpretation
2.5.1 Recognizing Impurity Peaks and Identifying Solvent Peaks
2.5.2 Calculation of the Unsaturation Number of the Unknown Compound
2.5.3 Consideration of Chemical Shift Values of Peaks
2.5.4 Determination of Carbon Atom Orders
2.5.5 Postulation of 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 MS
4.3.1 Determination of Molecular Ion Peak
4.3.2 Interpretation of Fragment Ion Peaks
4.3.3 Interpretation of Rearrangement Ion Peaks
4.3.4 Complex Cleavages of 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 the 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 the Interpretation of 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 According to Regions
5.3.1 Functional Group Region
5.3.2 Fingerprint Region
5.4 Interpretation of IR Spectra According to Regions
5.5 Interpretation of IR Spectra
5.5.1 Key Points for the Interpretation of IR Spectra
5.5.2 Steps for the Interpretation of an IR Spectrum
5.5.3 Searching Standard IR Spectra from IR Spectrum Collections or Websites
5.5.4 Examples of Interpreting IR Spectra
6 Identification of Unknown Compounds or Confirmation of Structures through Comprehensive Interpretation of Spectra
6.1 Commonly Used Method 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 the Deduction of the Structure of an Unknown Compound or for the Confirmation of an Anticipated Structure
Reference
List of Abbreviations
Index

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