NMR Spectroscopy of Organic Compounds - MC270P96
Title: NMR Spectroscopy of Organic Compounds
Czech title: NMR spektroskopie organických látek
Guaranteed by: Department of Organic Chemistry (31-270)
Faculty: Faculty of Science
Actual: from 2024
Semester: summer
E-Credits: 2
Examination process: summer s.:written
Hours per week, examination: summer s.:1/1, Ex [HT]
Capacity: unlimited
Min. number of students: 3
4EU+: no
Virtual mobility / capacity: no
State of the course: taught
Language: English
Additional information: https://nmr.group.uochb.cz/cs/kurz-nmr-ii
Note: enabled for web enrollment
priority enrollment if the course is part of the study plan
Guarantor: doc. RNDr. Martin Dračínský, Ph.D.
Teacher(s): doc. RNDr. Martin Dračínský, Ph.D.
Incompatibility : MC270P09
Is incompatible with: MC270P09
Opinion survey results   Examination dates   SS schedule   
Annotation -
The scope of this course is to provide students with understanding of basic principles of pulse Fourier transform NMR spectroscopy and two-dimensional techniques (2D NMR).
Simple one-dimensional pulse sequences (inversion recovery, APT, spin-echo experiments). Nuclear Overhauser effect. Principles of two-dimensional spectroscopy, polarization transfer, homonuclear correlated spectra (COSY), J-resolved spectra, heteronuclear correlations H,C, inversion techniques. Dynamic processes studied by NMR spectroscopy. Basics of solid-state NMR spectroscopy.
Last update: Dračínský Martin, doc. RNDr., Ph.D. (25.02.2021)
Literature - Czech

M. Dračínský: NMR Spektroskopie pro chemiky, PřF UK, 2021

nmr-challenge.com

H. Günther: NMR Spectroscopy, 2nd Edition. Wiley, New York, 1995.
J. K. M. Sanders, B. K. Hunter: Modern NMR Spectroscopy. A Guide for Chemists, 2nd Edition. Oxford University Press, Oxford, 1994.
J. K. M. Sanders, E. C. Constable, B. K. Hunter, C. M. Pearce: Modern NMR Spectroscopy. A Workbook of Chemical Problems, 2nd Edition. Oxford University Press, Oxford, 1993.
M. Buděšínský, J. Pelnař: Nukleární magnetická rezonance. 25.svazek cyklu Organická chemie. Ústav organické chemie a biochemie AVČR, Praha, 2000.

Last update: Dračínský Martin, doc. RNDr., Ph.D. (22.06.2022)
Requirements to the exam -

Written test + 80% of homework assignments.

Last update: Dračínský Martin, doc. RNDr., Ph.D. (19.02.2025)
Syllabus -

Basic principles of pulse Fourier transform NMR spectroscopy, magnetization, pulse angle, vector model, free induction decay (FID). Fourier transformation. Pulse sequencies of simple one-dimensional spectra (inversion recovery, spin-echo, attached proton test).
Broad-band decoupling, off-resonance decoupling, gated decoupling. Effect of chemical exchange. Nuclear Overhauser effect. Principles of two-dimensional spectroscopy, polarization transfer. Homonuclear correlated spectra (H,H-COSY, LR-COSY, TOCSY, NOESY, ROESY, EXSY). 2D J-resolved spectra. Heteronuclear H,C-correlated spectra, inversion techniques (HSQC, HMBC). Connectivity of carbon atoms (2D-INADEQUATE). Utilization of 2D spectra for structural analysis. Analysis of high-resolution NMR spectra. NMR spectra of other nuclei.

Last update: Dračínský Martin, doc. RNDr., Ph.D. (25.02.2021)
Learning outcomes -

Upon completing the course, the student will be able to:

  • Propose the structures of organic molecules based on the analysis of one-dimensional hydrogen and carbon NMR spectra.
  • Describe the basic principles of NMR spectroscopy.
  • Describe the magnetic properties of isotopes of the most common elements found in organic compounds.
  • Identify typical regions of hydrogen and carbon chemical shifts where signals of common functional groups of organic compounds are expected. Explain the influence of inductive and mesomeric effects on chemical shifts.
  • Explain what indirect spin-spin couplings are, how they appear in NMR spectra, and how they can be used in structural analysis.
  • Explain the effect of magnetic field strength on NMR spectra.
  • Explain what exchangeable hydrogens are and describe the influence of the solvent on their signals.
  • Describe simple pulse sequences for measuring 1D spectra, including sequences for measuring relaxation times, APT, INEPT, and sequences for quantitative carbon spectra. Explain terms such as pulse, delay, acquisition, decoupling.
  • Identify chemically equivalent atoms in a molecule and recognize magnetically equivalent nuclei.
  • Classify pairs of atoms or groups of atoms as homotopic, enantiotopic, or diastereotopic.
  • Explain the principle of detecting enantiomers in NMR spectroscopy.
  • Explain the principle of Fourier transform and the influence of relaxation on the shape of signals in spectra.
  • Describe the effect of acquisition parameters (e.g., acquisition time, number of points in the FID, spectral width) and processing parameters (e.g., apodization, zero-filling) on the resulting spectra.
  • Explain the principles of two-dimensional NMR experiments and their use in the structural analysis of organic compounds.
  • Propose the structures of organic molecules based on the analysis of common 2D spectra (COSY, HSQC, HMBC, ROESY).
  • Explain the use of magnetic field gradients for measuring diffusion coefficients and for magnetic resonance imaging.
  • Clarify the principle of the nuclear Overhauser effect and its use in structural analysis.
  • Utilize not only hydrogen and carbon spectra but also spectra of fluorine, phosphorus, nitrogen, and other nuclei for solving organic molecule structures.
  • Describe the effect of temperature on the signals of nuclei involved in chemical exchange. Describe the use of NMR spectroscopy to obtain data on the kinetics of chemical reactions and to determine energy barriers in equilibrium reactions.
  • Describe methods for suppressing solvent signals.
  • Describe the basic components of an NMR spectrometer.
  • List the most common solvents used in NMR spectroscopy.
  • Explain basic operations in NMR measurements (sample preparation, tubes, concentrations, tuning of the resonance circuit, adjustment of magnetic field homogeneity, sample spinning).
  • Explain the basic principles of relaxation in NMR spectroscopy (transverse relaxation, longitudinal relaxation) and describe experiments to determine relaxation times.
  • Describe the fundamental principles of measuring and interpreting solid-state NMR spectra, including techniques such as magic angle spinning, cross-polarization, detection of polymorphs, or crystallographically nonequivalent molecules.
  • Explain the basic principles and applications of electron paramagnetic resonance.
Last update: Dračínský Martin, doc. RNDr., Ph.D. (09.01.2025)