Structure Determination By Spectroscopic Methods
eBook - ePub

Structure Determination By Spectroscopic Methods

A Practical Approach

  1. 220 pages
  2. English
  3. ePUB (mobile friendly)
  4. Available on iOS & Android
eBook - ePub

Structure Determination By Spectroscopic Methods

A Practical Approach

About this book

The authors travel with the reader through the challenging maze of structure determination, showing how to distinguish between valuable and deceiving data from IR, NMR and MS spectra, extracting structural conclusions and putting all the pieces together to solve the structure elucidation puzzle. Indeed, human reasoning is key to combining the information contained in those bands, signals and peaks by a rationale that enables the makeup of a chemical structure. A number of increasingly more complex problems will act as trip segments and, in addition to the spectra themselves, each chapter is supplemented with figures and tables that decipher the above data and serve as maps for the journey.

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Yes, you can access Structure Determination By Spectroscopic Methods by Raul SanMartin,Maria Teresa Herrero in PDF and/or ePUB format, as well as other popular books in Physical Sciences & Biology. We have over one million books available in our catalogue for you to explore.

Information

Publisher
CRC Press
Year
2020
Print ISBN
9780367510169
eBook ISBN
9781351032483
Edition
1
Topic
Physical Sciences
Subtopic
Biology

PROBLEMS

Problem 1

A colorless liquid was isolated as the main product from the halogenation of a mixture of alkanes. Determine its structure from the following spectra and spectral data.

EI-MS (70 eV)

Figure 1.1 EI-MS unknown compound 1.
Figure 1.1 EI-MS unknown compound 1.

IR SPECTRUM (Thin film)

Figure 1.2 IR spectrum of unknown compound 1.
Figure 1.2 IR spectrum of unknown compound 1.

1H NMR SPECTRUM (300 MHz, CDCl3)

Figure 1.3 1H NMR spectrum of unknown compound 1.
Figure 1.3 1H NMR spectrum of unknown compound 1.

13C{ 1H} NMR AND DEPT-135 SPECTRA (75.5 MHz, CDCl3)

Figure 1.4 13C{1H} NMR and DEPT spectra of unknown compound 1.
Figure 1.4 13C{1H} NMR and DEPT spectra of unknown compound 1.

Problem 2

Catalytic hydrogenation of a sample of coal tar provided, after chromatographic separation, a yellowish white powder. Draw a structure for this compound that is consistent with all the spectra and spectral data presented below.
HRMS: (M+) found 180.0939

EI-MS (70 eV)

Figure 2.1 EI-MS of unknown compound 2.
Figure 2.1 EI-MS of unknown compound 2.
...
TABLE 2.1 Main peaks found in the EI-MS spectrum of unknown compound 2.
m/z Abundance (%) m/z Abundance (%) m/z Abundance (%)
75.10 6.0 139.10 6.0 176.10 29.0
76.10 16.0 150.10 9.0 177.20 18.0
82.60 5.0 151.10

Table of contents

  1. Cover
  2. Title Page
  3. Copyright Page
  4. Preface
  5. Acknowledgements
  6. Contents
  7. Bibliography
  8. Instrumentation
  9. Spectral Data
  10. Problem-Solving Strategies
  11. Summary Tables of Some Useful Spectroscopic Data
  12. Abbreviations
  13. Problems
  14. Solutions to Problems
  15. References
  16. Index