Solid-state nuclear magnetic resonance
Doctoral study programme Physics
Objectives and competences
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 of solids. The obtained knowledge will enable them to start working on advanced and more focused topics (such as NMR spectroscopy of pharmaceuticals, polymers, biological compounds, inorganic materials, etc.).
- Nuclear magnetic resonance (physical properties of nuclei, nuclei in magneic field, classical description, quantum-mechanical description, pulses of radiofrequency field, free-induction decay, Hahn echo)
- 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)
- Powder patterns, local symmetry, characteristics of spectral lines
- High-resolution solid-state nuclear magnetic resonance (magic-angle spinning, strength of interactions, homogeneous and inhomogeneous line-broadening, dipolar decoupling, double-orientation rotation in spectroscopy of quadrupolar nuclei)
- Relaxation (spin-lattice relaxation, spin-spin relaxation, T1 and T2 measurements)
- Advanced techniques (double resonance and cross-polarization, two-dimensional spectroscopy, high-resolution methods for quadrupolar nuclei)
- Average Hamiltonian theory (homonuclear and heteronuclear interactions and magic-angle spinning, measurements of internuclear couplings, indirect observation of multiple-quantum transitions)
- Applications of solid-state nuclear magnetic resonance spectroscopy
- 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, processing of spectra with VnmrJ and Dmfit)
- Simulations of nuclear magnetic resonance experiments within Simpson
Intended learning outcomes
Students will learn the basics of solid-state nuclear magentic resonance. 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 the 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 simulate the performance of simple pulse sequences.
• M. H. Levitt, Spin dynamics, Wiley, Chichester 2002.
• C. P. Slichter, Principles of magnetic resonance, Springer, Berlin 1996.
• M. Mehring, Principles of high resolution NMR in solids, Springer, Berlin 1983.
• 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.
Seminar work , participation in practical work, oral exam (50/20/30)
Associate professor of physics at the University of Nova Gorica.
MALI, Gregor, MAZAJ, Matjaž, ARČON, Iztok, HANŽEL, Darko, ARČON, Denis, JAGLIČIĆ, Zvonko. Unraveling the arrangement of Al and Fe within the framework explains the magnetism of mixed-metal MIL-100(Al,Fe). The journal of physical chemistry letters, ISSN 1948-7185, 2019, vol. 10, no. 6, str. 1464-1470, doi: 10.1021/acs.jpclett.9b00341. [COBISS.SI-ID 32220711]
MALI, Gregor. Ab initio crystal structure prediction of magnesium (poly)sulfides and calculation of their NMR parameters. Acta crystallographica. Section C, Structural chemistry, ISSN 2053-2296, 2017, vol. C73, pt. 3, str. 229-233, doi: 10.1107/S2053229617000687. [COBISS.SI-ID 6107674]
KRAJNC, Andraž, VARLEC, Jure, MAZAJ, Matjaž, RISTIĆ, Alenka, ZABUKOVEC LOGAR, Nataša, MALI, Gregor. Superior performance of microporous aluminophosphate with LTA topology in solar-energy storage and heat reallocation. Advanced energy materials, ISSN 1614-6840, 2017, vol. 7, iss. 11, str. 1601815-1-1601815-8, doi: 10.1002/aenm.201601815. [COBISS.SI-ID 6070810]
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 : International edition, ISSN 1433-7851, 2015, vol. 54, iss. 36, str. 10535-10538, doi: 10.1002/anie.201504426. [COBISS.SI-ID 5735962]
UKMAR GODEC, Tina, ČENDAK, Tomaž, MAZAJ, Matjaž, KAUČIČ, Venčeslav, MALI, Gregor. Structural and dynamical properties of indomethacin molecules embedded within the mesopores of SBA-15: a solid-state NMR view. The journal of physical chemistry. C, Nanomaterials and interfaces, ISSN 1932-7447, 2012, vol. 116, no. 4, str. 2662-2671, doi: 10.1021/jp2087016. [COBISS.SI-ID 4893978]
University course code: 3FIi02
Year of study: 2. year
- pridr. prof. dr. Gregor Mali
- Lectures: 10 hours
- Exercises: 40 hours
- Individual work: 130 hours
Course kind: elective
Learning and teaching methods: