6 points, SCA Band 2, 0.125 EFTSL
Undergraduate - Unit
Refer to the specific census and withdrawal dates for the semester(s) in which this unit is offered.
- Second semester 2018 (On-campus)
Previously coded PSC2182
An introduction to the major techniques which underpin the practical aspects of compound identification for medicinal chemistry: UV spectroscopy, IR spectroscopy, Mass spectroscopy and NMR spectroscopy.
After completing this unit students will be expected to be able to:
- Describe how spectroscopic techniques can be used in the process of identification of small drug like molecules;
- Describe briefly the phenomena behind the spectroscopic techniques;
- Use the molecular formula of a compound to determine the index of hydrogen deficiency
- Interpret infra-red (IR) spectra to enable the identification of functional groups in small molecules
- Interpret mass spectra (MS) for small molecules to determine patterns of fragmentation and rearrangement that generate the observed ions
- Analyze nuclear magnetic resonance (NMR) spectra and measure the relevant spectroscopic parameters (chemical shift, intensity, coupling)
- Calculate coupling constants from NMR spectra
- Draw coupling trees to account for the patterns of coupling observed in NMR spectra
- Identify elements of symmetry in the chemical structure of small molecules
- Analyse IR, 1D NMR and Mass spectra of an unknown molecules and to use these to determine their structure;
- Analyse 2D NMR spectra as a means to assign the NMR spectra of more complex molecules;
- Demonstrate the correct reporting of spectroscopic data as used in medicinal chemistry.
Final exam (2 hour): 60%; Mid-semester exam: 20%; Practical assessments: 20%.
Contact hours for on-campus students:
- Thirty-six hours of lectures and workshops
- Thirty-six hours of computational and laboratory based practical classes
See also Unit timetable information