MChem Chemistry with Medicinal Chemistry

Molecular spectroscopy and mass spectrometry are fundamental to chemical analysis and are important tools in all areas of chemistry. In this module, further principles and instrumentation of some of the most common techniques will be presented, building upon ideas and concepts developed in the first year.  

The unit aims to explore further the theory, instrumentation and application of molecular spectroscopy, mass spectrometry and ion mobility as applied in analytical chemistry. 

Unit-level ILOs

At the end of this module, students should be able to:

ILO1 – Explain the fundamental principles and physico-chemical mechanisms of application of 1D and 2D NMR, ion mobility and mass spectrometry and molecular spectroscopy.  

ILO2 – Select, justify and describe methodologies of the above techniques to address analytical problems and provide chemical information.

ILO3 – Predict and/or interpret chemical structure information obtained with the above techniques in the context of underlying theory and instrumental parameters. 

• Systematic approaches to problem-solving using a range of data sources

• Working in small groups 

• Systematic approaches to problem-solving using a range of data sources

• Working in small groups 

Core text  

J. McCullagh and N. Oldham, Mass Spectrometry (Oxford Chemistry Primers), Oxford University Press 2019

Ian Fleming and Dudley Williams, Spectroscopy Methods in Organic Chemistry, Springer, 7th Edition 2019.

Essential reading

D. C. Harris, Quantitative Chemical Analysis, 8th or 9th Edn., W. H. Freeman, 2010 or 2015.  

P.J. Hore, Nuclear Magnetic Resonance (Oxford Chemistry Primer Series), 2nd Edn., Oxford University Press, 2015.

J. A. Iggo, K. Luzyanin, NMR Spectroscopy in Inorganic Chemistry (Oxford Chemistry Primer Series), 2nd Edn., Oxford University Press, 2020.

J. McCullagh, N. Oldham, Mass Spectrometry (Oxford Chemistry Primer Series), Oxford University Press, 2019.

Determination A Practical Approach to NMR Spectroscopy, Taylor and Francis, 2015

Donald L Pavia, Gary M Lampman, George S Kriz, James R Vyvyan, Introduction to Spectroscopy, 2014 5th edition (No current electronic access)

Recommended reading

P Hore, Nuclear Magnetic Resonance, 2nd Edition, Oxford University Press, 2015

T.D.W. Claridge, High-Resolution NMR Techniques in Organic Chemistry, 2nd Edn., Elsevier, 2016.

Malcolm Levitt, Spin Dynamics: basics of nuclear magnetic resonance, 2nd edition, 2008.

James Keeler, Understanding NMR Spectroscopy, 2nd edition, 2010  

Harald Günther, NMR Spectroscopy: Basic Principles, Concepts and Applications in Chemistry, 3rd Edition, Wiley, ISBN: 978-3-527-33000-3 (available as ebook)

K. Downard, Mass Spectrometry – A Foundation Course, RSC, 2004

E. De Hoffmann, Mass Spectrometry: Principles and Applications, Wiley-Interscience; 3rd edition, 2007

Infrared and Raman spectra of inorganic and coordination compounds, Kazuo Nakamoto, 6th edition 2007

Physical Chemistry, 12th Ed., PW Atkins, J. de Paula and J. Keeler, Oxford University Press, 2022