PHYSICAL METHODS IN ORGANIC CHEMISTRY
Learning outcomes of the course unit
The aim of the course is to give the participants a thorough knowledge of the basic and advanced tools for the structural analysis or organic compounds through monodimensional and bidimensional NMR spectroscopy.
The basic knowledge of quantum mechanics (operators, wavefunctions, eigenfunctions and eigenvalues of operators) is requested although not strictly necessary.
Course contents summary
Comparison between the Product Operators Formalism and the Vectorial Model in the interpretation of the NMR spectroscopy experiments. Brief outline of the vectorial model. Introduction to operators. Product operators for one spin. Hamiltonians for spins and delays. Motion equation and standard rotations. Spin-echo experiment with the formalism of the product operators. Product operators for a weak-coupled two spins system. Basic concepts of the 2D NMR spectroscopy. Chemical exchange and the EXSY experiment: pulse sequence. Multiple-quantum coherences and phase cycling. 2D NMR experiments with coherence transfer mediated by J-coupling. 2D COSY and DQF-COSY spectroscopy: pulse sequences and spectra interpretation. 2D TOCSY spectroscopy: pulse sequence and spectra interpretation. Nuclear Overhauser Effect (NOE): 1D NOEdif spectroscopy and 2D NOESY and ROESY spectroscopy: pulse sequences and spectra interpretation. Hetero-correlated (HMQC and HSQC) 2D Spectroscopy: pulse sequences and spectra interpretation. Several example of structural identification of organic compounds through 2D NMR spectroscopy.
- N. E. Jacobsen "NMR Spectroscopy Explained: Simplified Theory, Applications and Examples for Organic Chemistry and Structural Biology, Wiley, 2007
- J. Keeler "Understanding NMR Spectroscopy", Wiley, 2005
- M. H. Levitt "Spin Dynamics", Wiley, 2001
Lectures and exercises.