Newcastle University

Aims

To introduce the principles of NMR spectroscopy and to familiarise students with the analysis of the NMR spectra of some organic and inorganic compounds; to explain the principles of X-ray diffraction by single crystals and the application of these principles in practical structure determination; to provide students with an appreciation and understanding of all aspects of modern mass spectrometry, building on their knowledge of traditional electron impact mass spectrometry; to provide the necessary background for the interpretation of the vibrational spectra of inorganic and organic molecules

Outline Of Syllabus

Magnetic Resonance Spectroscopy and Organic Compound Identification
Professor AC Benniston

1-2 Revision of NMR spectroscopy
3 Chemical shifts and splitting patterns
4 Carbon 13 NMR and 2D NMR and their uses
5-8 Interpreting NMR spectra and other analytical data in identification of organic compounds

Magnetic Resonance Spectroscopy and Inorganic Compound Identification
Dr RJ Errington

1-2 More complex NMR techniques and their uses
3-4 Nuclei with spins >1/2 and their spectra
5 Dynamic NMR and interpreting temperature dependent spectra
6-8 Identification of inorganic/organometallic compounds by interpretation of NMR spectra and other analytical data

Crystallographic Methods
Dr U Baisch

1 Introduction; the basis of crystallographic methods
2 Diffraction of X-rays by molecules and crystals: geometry and symmetry
3 The intensities of diffracted X-rays
4 Crystallography practice: from sample to diffraction pattern
5 Crystallography practice: from diffraction pattern to structure
6 Results and their significance
7 Case studies
8 Powder diffraction 1
9 Powder diffraction 11
10 Solvent inclusion, twinning, disorders and others

Mass Spectrometry
Professor BT Golding

1 Revision of the basic principles of EIMS; scope and limitations of EIMS
2 Alternative ionisation methods: fundamental principles
3 New techniques in MS: practice and applications
4 Complete structure determination by MS (primarily organic examples)
5 Complete structure determination by MS (primarily inorganic examples)
6 Seminar

Laboratory Course
Course organiser: Dr RW Harrington

1 Identification of organic compounds from spectroscopic and other data
2 Identification of inorganic compounds from spectroscopic and other data
3 X-ray diffraction: Patterson maps; direct analysis; powder patterns
4 Molecular modelling; the use of the Cambridge Structural Database; molecular symmetry
5 Mass spectrometry including isotope patterns

Teaching Rationale And Relationship

This course covers the principal methods of structural determination used in modern chemistry.
The basis of the course is the lectures, but these are strongly reinforced by the closely integrated practical work which gives the students valuable personal experience of the most important techniques and how they can be applied in real life situations. The practical also provide a means of continuous assessment, and the tutorials are especially aimed at giving more theoretical backup

Assessment Rationale And Relationship

The dry-lab practical assessed work will permit the student to practise and consolidate the lecture material and also allow the academic subject tutor to monitor progress towards the learning outcomes.

The examination will assess the student's knowledge and understanding of the basic principles of all areas of spectroscopy.