KEMV1195 CH3: Computer-assisted NMR analysis (JSS30) (2 op)

Evaluation: The course will be graded either pass or fail. In order to pass the course at least 50% of the total points must be achieved. The total points consist of class activity and assignments (50%) as well as the final examination (50%).

Contents: The course will aim to familiarize the participants to computerized NMR spectral analysis and different applications for it. The course will consist of lectures which demonstrate how to use ChemAdder NMR software and exercises solved in small groups. Exercises will start with analysis of simple compounds starting from their 3D chemical structures, and finally also simple mixtures are analyzed and quantified. Modelling of different types of spin systems such as AA’BB’CC’ and ABCDEF, analysis of virtual 1D HSQC ¹³C-¹³C coupled spectra (2D to 1D spectra of ¹³C enriched samples), NMR parameter prediction, and iterative total line shape fitting using Bartlett integrals, will be presented.

The participant will learn to use the ChemAdder software for NMR analysis of simple compounds and quantitative analysis of mixtures.