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[ 491ECANNMRK24 ] KV Understanding NMR spectroscopy
Versionsauswahl
Workload Education level Study areas Responsible person Hours per week Coordinating university
3 ECTS M1 - Master's programme 1. year Chemistry Frans Mulder 2 hpw Johannes Kepler University Linz
Detailed information
Original study plan Master's programme Chemistry and Chemical Technology (CCT) 2025W
Learning Outcomes
Competences
Students will be able to understand and describe the spin physics of NMR spectroscopy in the language of quantum chemistry. Students can describe basic 1D and 2D NMR experiments using the vector model and more advanced experiments using the Product Operator Formalism (PrOF). Students can describe the most important 2D NMR experiments (like COSY, HSQC, HMBC) with PrOF and link the chemical structure of small (organic) molecules with 2D NMR spectra.
Skills Knowledge
The following skills will be provided: • Students can describe the basis of NMR for isolated spins, such as populations, energy levels, rotations of spin and magnetization vectors using classical physics concepts (k1,k2). • Students can describe the NMR phenomenon for spin-1/2 nuclei (1H, 13C, 15N, 31P) in quantum mechanical (QM) terms, including populations, coherences, superposition states, single quantum and multiple quantum transitions (k1,k2). • Students are able to use the vector representation to explain simple NMR experiments like pulses and precession (k3). • Students are able to use the PrOF to analyze basic pulse sequence blocks like the spin echo and polarization transfer (k4). • Students understand the principles behind many popular 2D NMR techniques used in organic chemistry and can decide on a suitable experiment for a given question about molecular structure (k2,k5). • Quantum Mechanics: Wave functions, Hamiltonians, Operators, Product Operators, Transformations, Basis Sets, Expectation Values, Density Matrix, Hilbert Space, Liouville Space, Schrödinger Equation, Liouville-van Neumann equation • Complex numbers, linear algebra, vectors, rotations, matrix algebra, eigenfunctions, eigenvalues • Weak coupling, strong coupling • RF pulse sequences • Homonuclear 2D: COSY, TOCSY • Polarization transfer techniques: INEPT, DEPT • Heteronuclear 2D: HMQC, HSQC, HMBC
Criteria for evaluation
Changing subject? No
On-site course
Maximum number of participants 25
Assignment procedure Direct assignment