COURSE DESCRIPTION: After a repetition of the basics of 1D NMR spectroscopy the principles of 2D NMR will be explained and in part described mathematically. The main part of the lecture course is the description of different 2D NMR methods for structural elucidation, such as J-resolved spectroscopy, COSY, H,C correlation (HMQC, HMBC) as well as NOESY, TOCSY and ROESY. Finally also 2D INADEQUATE and 2D ADEQUATE will be discussed. The ESR part of the course will cover the electron-Zeeman interaction, Electron-spin nuclear-spin interaction, determination of isotropic and anisotropic parameters, spectra of solutions, single-crystals and powder samples. Furthermore Electron-Nuclear-Double-Resonance (ENDOR) and related techniques will be discussed. The theoretical lectures of the course are accompanied by practical demonstrations, where the 2D NMR techniques and key experiments of ESR are shown to students in small groups. Lecture hours are accompanied by a homework assignment. The practical demonstrations yield a set of spectra for a somewhat more difficult compound. This structure has to be elucidated and a written protocol is required. A final written test will be performed at the end of the lecture course

AIMS:

• To build upon and extend the theoretical and instrumental concepts of Magnetic resonance introduced during the bachelor degree programme
• To develop the competence and confidence of the students applying Magnetic Resonance towards structural elucidation
• To highlight modern advances in instrumentation and techniques within NMR and ESR

INTENDED LEARNING OUTCOMES:
After completing this unit the student should be able to:

• Understand in a comprehensive way the pulse programs for 2D NMR spectroscopy
• Firm knowledge of NMR and ESR instrumentation, their hard- and software
• Review critically the available types of mass analysers
• Identify and apply methods for structural elucidation in chemistry
• Interpret 2D NMR spectral data and present the conclusions drawn in written and oral form

TEACHING AND LEARNING ACTIVITIES:

Lectures and colloquia: 70 hours
Student centred learning: 120 hours
Total student effort: 190 hours

ASSESSMENT:

Written protocol with the correct structural elucidation for the given sample (25%). Written final examination (75%)

BIBLIOGRAPHY:

1. Jeremy K. Sanders, Brian K. Hunter; Modern NMR Spectroscopy, a guide for Chemists, Oxford University Press 1993
2. Stefan Berger, Siegmar Braun; 200 and More NMR Experiments, Wiley-VCH, 2004
3. John A. Weil, James R. Bolton, John E. Wertz; Electron Paramagnetic Resonance: Elementary Theory and Practical Applications, John Wiley 1994

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