Nuclear magnetic resonance

Students will learn theoretical basics of magnetic resonace spectroscopy and will acquire practical experience that will allow them to independently measure, process and evaluate nuclear magnetic resonance spectra, with the emphasis on NMR specta of solids. The obtained knowledge will enable them to start working on advanced and more focused topics (such as NMR spectroscopy of materials, pharmaceuticals, polymers, biological compounds, etc.).

1. Matter in magnetic field (magnetic field, magnetic dipole moment, magnetization)

2. Nuclear magnetic resonance (physical properties of nuclei, nuclei in magneic field, classical description, pulses of radiofrequency field, free-induction decay)

3. Fourier transformation and spectral lines

4. NMR Spectrometer

5. Interaction of nuclei with their neighbourhood (chemical shift, dipolar interaction, quadrupolar interaction, hyperfine coupling, Knight shift; organic and bio-organic compounds, diamagnetic materials, paramagnetic materials, metals)

6. Powder patterns, local symmetry, characteristics of spectral lines

7. High-resolution solid-state nuclear magnetic resonance (magic-angle spinning, strength of interactions, homogeneous and inhomogeneous line-broadening, dipolar decoupling)

8. Advanced techniques (double resonance and cross-polarization, spin echo, two-dimensional spectroscopy)

9. Relaxation (spin-lattice relaxation, spin-spin relaxation, T1 and T2 measurements)

10. Applications of solid-state nuclear magnetic resonance spectroscopy

11. Practical work at spectrometer (setting the magic-angle, adjusting the homogeneity of external field, calibrating the strength of radiofrequency fields, cross-polarization experiment, T1 and T2 mesurement)

12. Processing of nuclear magnetic resonance data with ‘NMRprocessor’ and ‘Dmfit

Students will learn the basics of nuclear magentic resonance, with the emphasis on solid state NMR. They will understand which interactions within a solid determine the shape of the spectrum and what information such a spectrum offers about the local environment around nuclei and thus about the local structure and dynamics within a solid. Students will get familiar with modern high-resolution techniques of solid-state nuclear magnetic resonance spectroscopy. They will test the basic techniques on the spectrometer. They will also learn how to process the recorded spectra and how to extract information from them.

• M. H. Levitt, Spin dynamics, Wiley, Chichester 2002. Catalogue E-version
• C. P. Slichter, Principles of magnetic resonance, Springer, Berlin 1996. Catalogue E-version
• M. Mehring, Principles of high resolution NMR in solids, Springer, Berlin 1983. Catalogue
• S. E. Ashbrook, M. J. Duer, Structural information from quadrupolar nuclei in solid state NMR, Concepts in Magnetic Resonance Part A: Bridging Education and Research, 28 (2006) 183-248. https://doi.org/10.1002/cmr.a.20053 E-version

Seminar work (50%), Participation in practical work (50%), Oral exam (50%)

Prof. dr. Gregor Mali:

Associate professor of Physics at the University of Nova Gorica

Selected publications:

1. MALI, Gregor, UBRANI M., Manu Patel, MAZAJ, Matjaž, DOMINKO, Robert. Stable crystalline forms of Na polysulfides : experiment versus ab initio computational prediction. Chemistry, ISSN 0947-6539. [Print ed.], Mar. 2016, vol. 22, iss.10, str. 3355-3360. doi: 10.1002/chem.201504242. [COBISS.SI-ID 5858586]

2. PIRNAT, Klemen, MALI, Gregor, GABERŠČEK, Miran, DOMINKO, Robert. Quinone-formaldehyde polymer as an active material in Li-ion batteries. Journal of power sources, ISSN 0378-7753, May 2016, vol. 315, str. 169-178, doi: 10.1016/j.jpowsour.2016.03.010. [COBISS.SI-ID 5889562]

3. VARLEC, Jure, KRAJNC, Andraž, MAZAJ, Matjaž, RISTIĆ, Alenka, VANATALU, Kalju, OSS, Andres, SAMOSON, Ago, KAUČIČ, Venčeslav, MALI, Gregor. Dehydration of AlPO [sub] 4-34 studied by variable-temperature NMR, XRD and first-principles calculations. New journal of chemistry, ISSN 1144-0546, iss. 5, vol. 40, may 2016, str. 4178-4186, ilustr. doi: 10.1039/C5NJ02838H. [COBISS.SI-ID 5835546]

4. KRAJNC, Andraž, KOS, Tomaž, ZABUKOVEC LOGAR, Nataša, MALI, Gregor. A simple NMR-based method for studying the spatial distribution of linkers within mixed-linker metal-organic frameworks. Angewandte Chemie, ISSN 1433-7851. [Print ed.], Sep. 2015, vol. 54, iss. 36, str. 10535-10538. doi: 10.1002/anie.201504426. [COBISS.SI-ID 5735962]

5. VIŽINTIN, Alen, LOZINŠEK, Matic, KUMAR CHELLAPPAN, Rajesh, FOIX, Dominique, KRAJNC, Andraž, MALI, Gregor, DRAŽIĆ, Goran, GENORIO, Boštjan, DEDRYVÈRE, Rémi, DOMINKO, Robert. Fluorinated reduced graphene oxide as an interlayer in Li-S batteries. Chemistry of materials, ISSN 0897-4756. [Print ed.], Oct. 2015, vol. 27, no. 20, str. 7070-7081. doi: 10.1021/acs.chemmater.5b02906. [COBISS.SI-ID 29021479]

6. MALI, Gregor, TREBOSC, Julien, MARTINEAU, Charlotte, MAZAJ, Matjaž. Structural study of Mg-based metal-organic frameworks by X-ray diffraction, [sup] 1H, [sup] 13C and [sup] 25Mg solid-state NMR spectroscopy, and first-principles calculations. The journal of physical chemistry. C, Nanomaterials and interfaces, ISSN 1932-7447, Apr. 2015, vol. 119, iss. 14, str. 7831-7841, ilustr. doi: 10.1021/acs.jpcc.5b01381. [COBISS.SI-ID 37867269]