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Please, cite this online document as:
Sykora S.,
Tutorial on Spin Systems in Magnetic Resonance,
MMCE 2019, Magnetic Moments in Central Europe, Praha (Czech Republik), February 27 - March 3, 2019.
DOI: 10.3247/SL7Nmr19.002.
Abstract
This invited tutorial was originally supposed to have four Sections but, due to utter lack of time (40'), only two could be covered. The plan is to develop the topic in its full breadth in a book form.
--- Section I: Generalities.
A brief review of the very basic concepts regarding magnetic particles, including atomic nuclei. This means the angular momentum (spin), magnetic dipole moment, quadrupole electric moment, chemical screening, list of interactions in which magnetic particles can participate, the approximation of Weston Anderson's spin-system Hamiltonian and its parameters (chemical shifts and coupling constants).
--- Section II: From spin Hamiltonian to spectra.
Generic properties of the Hamiltonian and their observable consequences. Special cases for various types of systems (liquids/solids, isotropic/axial). Experimental ways to affect the Hamiltonian (decoupling, MAS). Spectral invariants, equivalent groups and sub-spectra. Mathematical definition of NMR spectra and their invariants (spectral moments). Various types of symmetries, equivalent groups and sub-spectra. Forward simulation of NMR spectra and its combinatorial complexity: static and dynamic cases. A mentions of the inverse problem (parameters "fitting").
--- Section III (skipped). Molecular NMR spectra in isotropic solutions.
Given the audience, this is the central part of the tutorial. Revisiting equivalent groups, sub-spectra and symmetry effects. Multiplets in proton and other 1D spectra. Hetero couplings, isotopomers, symmetry breaking. Weak and strong couplings of first and second type, roof effects, combination transitions, indirect coupling effects. A mention of the obstacles that arise when "interpreting" real NMR spectra (solvent signals, rotamers, impurities, residual reaction solvents, fingerprints, spikes and other artifacts).
--- Section IV (skipped): Special effects and systems
Relaxation effect on HR-NMR spectra; relaxation in coupled spin systems. Through-space couplings. Spectra of non-isotropic systems (oriented, RDC's) and spectra of solid samples.
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