Basic knowledge for the structural determination of synthetic organic molecules, carbohydrates, small peptides and natural products by means of 1D and 2D NMR spectroscopy. General concepts useful for the acquisition, the elaboration and the assignments of proton, carbon and bidimensional NMR spectra. Advanced MS spectrometry and IR spectroscopy complementary information will be furnished.
The list of the textbooks will be presented in the introductory lecture of the course. The powerpoint presentation of the lectures will be provided.
Learning Objectives
Knowledge requested: Knowledge about the fundamental of organic chemistry are requested.Skills acquired: Acquisition, elaboration and interpretation of 1D and 2D-NMR spectra to determine the structure of organic molecules via NMR, MS and IR techniques.
Prerequisites
Basic knowledge of Organic Chemistry
Teaching Methods
Total hours of the course activities (including lectures, assignments, practical exercises, discussion etc...): 60
Type of Assessment
Final examination will deal with (i) the structure determination or the critical analysis of the full characterization of an organic compound and (ii) an oral presentation on a topic chosen among those proposed by the lecturers.
Course program
Introduction. Instruments and sample preparation. 1H spectroscopy. Resonance. Chemical shift. Factors influencing the chemical shift: inductive effects, mesomeric effects and ring currents. Spin-spin coupling, multiplets and spin systems. Chemical and magnetical equivalence. Main acquisition parameters for mono-dimensional spectra. NMR observables. Acquisition and interpretation of proton NMR spectra. 13C-NMR spectroscopy. Proton decoupling. DEPT. APT. Acquisition and interpretation of carbon NMR spectra. FID elaboration and spectra make-up. Introduction to 2D NMR spectroscopy. Homonuclear and heteronuclear NMR experiments. COSY. TOCSY. NOESY. Hetcor and HSQC. COLOC and HMBC. Main acquisition parameters for bidimensional spectra. Interpretation of 1D and 2D-NMR spectra together with IR and MS spectra for the structure determination of unknown compounds. Summary of the ionization methods used in mass spectrometry and their application. High resolution mass spectrometry. Essentials of advanced mass spectrometry (tandem MS)