Structural Determination

Learning outcomes - after studying this topic, you should be able to:
  • explain the basic principles of a mass spectrometer
  • identify the molecular ion, base peak and daughter ions in a mass spectrum
  • derive structural information from a fragmentation pattern in a mass spectrum
  • recognize the isotope distribution characteristic or bromine and chlorine containing compounds in a mass spectrum
  • use the information that IR and UV-visible spectra provide to aid in the determination of structures
  • explain the basic principles of NMR spectroscopy
  • identify the number and type of carbon environments in a molecule and predict the number of signals in a 13C NMR spectrum
  • identify the number and type of hydrogen environments in a molecule and predict the the number of signals in a 1H NMR spectrum
  • predict the number of hydrogen atoms in each environment from the size of the signals in a 1H NMR spectrum
  • predict the number of hydrogen atoms on neighbouring atoms from the multiplicity of the signals in a 1H NMR spectrum
  • determine the structure of a simple compound from spectroscopic data

Textbook and eBook References

ChemCAL, iChem and Contributed Resources

Organic spectroscopy
Contributed by Adam Bridgeman
 
 
Protein data bank
Description: structural information on proteins and nucleic acids
Tags: proteins | DNA | nucleic acids
Contributed by Adam Bridgeman
 
 
Spectroscopic techniques in organic chemistry
Description: Workshop on spectroscopic techniques and problem solving in structure determination
Tags: spectroscopy | structure determination
Contributed by Adam Bridgeman
 
 
Spectroscopy game
Description: For those who want to practise their IR/NMR/etc skills.
Tags: IR | NMR | spectroscopy
Contributed by Adam Bridgeman
 
 
Structure determination
Tags: structure determination | IR | NMR | UV
Contributed by Peter Rutledge
 
 
Introduction to Organic Structure Determination
Description: Video and interactive tutorials and self test quizzes on organic spectroscopy and structure determination
Tags: structure determination | IR | NMR | UV
Contributed by Adam Bridgeman