C8950 NMR - Strukturní analýza

Faculty of Science
Spring 2002
Extent and Intensity
2/0/0. 3 credit(s). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).
Teacher(s)
prof. RNDr. Radek Marek, Ph.D. (lecturer)
Guaranteed by
prof. RNDr. Radek Marek, Ph.D.
Chemistry Section – Faculty of Science
Prerequisites
physical and organic chemistry, physics
Course Enrolment Limitations
The course is also offered to the students of the fields other than those the course is directly associated with.
fields of study / plans the course is directly associated with
there are 23 fields of study the course is directly associated with, display
Course objectives
NMR spectroscopy is one of the most important methods of structural analysis. Graduates are expected to be oriented in the structural analysis of natural products and organic compounds by using high-resolution NMR spectroscopy. The main emphasis is oriented to the interpretation and extraction of information from basic 2D spectra (COSY, NOESY, HSQC, HMBC).
Syllabus
  • 1. Basic aspects of NMR - introduction, methods of magnetic resonance, origin of NMR signal, chemical shift, spin-spin scalar coupling, examples, Fourier transformation - nuclear relaxation (inversion recovery), selective excitation, suppression of solvent signal, NOE; 2. Construction of spectrometers, magnets, probes, tubes NMR-HPLC, NMR-MS; 3. Editation techniques - spin echo, APT - polarisation transfer, INEPT, DEPT; 4. Multidimensional NMR spectroscopy Homonuclear shift correlation - correlation spectroscopy (COSY) - multiple bond interactions (LR-COSY, Relayed COSY) - TOCSY; 5. Heteronuclear chemical shift correlation - single bond (HETCOR) - multiple bond (LR-HETCOR, COLOC); 6. Measurement of J couplings - J spectroscopy - other techniques - chemical shift correlations, time domain; 7. Dipolar interactions - selective NOE - 2D NOESY; 8. Multiple-quantum spectroscopy - MQF-COSY - INADEQUATE; 9. NMR spectroscopy of various nuclei - 15N, 31P, 77Se (19F, 29Si, , 111 and 113Cd, 117 and 119Sn, 125Te, 195Pt, and 207Pb); 10. Inverse-detected experiments - single bond (HMQC, HSQC) - multiple bond (HMBC, HSQC) - hybrid experiments (HMQC-TOCSY, HSQC-TOCSY, HSQC-NOESY; 11. Gradient assisted spectroscopy - homonuclear shift correlations - NOESY - inverse-detected heteronuclear shift correlations; 12. scalar and dipolar interactions - information for structural interpretation - J couplings and dihedral angles - NOE and interatomic distances - input for molecular mechanics; 13. Practical aspects, scopes and limitations; - probehead selection, logical structure of analysis, sensitivity of experiments; 14. Practical examples and interpretation.
Literature
  • Claridge, Timothy D.W. High-Resolution NMR Techniques in Organic Chemistry: Pergamon, 1999 382s. ISBN 0-08-0427987
  • RAHMAN, Atta-ur-. Solving problems with NMR spectroscopy. Edited by Muhammad Iqbal Choudhary. San Diego: Academic Press, 1995, xvi, 430. ISBN 0120663201. info
  • RAHMAN, Atta-ur-. One and Two Dimensional NMR Spectroscopy. 1. vyd. Amsterdam: Elsevier Science Publishers B.V., 1989, 578 s. ISBN 0444873163. info
  • BREITMAIER, Eberhard. Structure elucidation by NMR in organic chemistry : a practical guide. Translated by Julia Wade. Chichester: John Wiley & Sons, 1993, 265 s. ISBN 0471933813. info
  • BRAUN, Siegmar, Hans - Otto KALINOWSKI and Stefan BERGER. 150 and more basic NMR experiments :a practical course. 2nd exp. ed. Weinheim: Wiley-VCH, 1998, 595 s. ISBN 3-527-29512-7. info
  • BRAUN, Siegmar, Hans - Otto KALINOWSKI and Stefan BERGER. 100 and more basic NMR experiments :a practical course. Weinheim: VCH Verlagsgesellschaft, 1996, xii, 418 s. ISBN 3-527-29091-5. info
  • http://staffold.vscht.cz/nmr/subpages/predmet.html
Assessment methods (in Czech)
výuka probíhá každý týden, zakončení zkouškou s písemnou i ústní částí
Language of instruction
Czech
Follow-Up Courses
Further Comments
The course is taught annually.
The course is taught: every week.
Listed among pre-requisites of other courses
The course is also listed under the following terms Spring 2008 - for the purpose of the accreditation, Spring 2011 - only for the accreditation, Spring 2000, Spring 2001, Spring 2003, Spring 2004, Spring 2005, Spring 2006, Spring 2007, Spring 2008, Spring 2009, Spring 2010, Spring 2011, Spring 2012, spring 2012 - acreditation, Spring 2013, Spring 2014, Spring 2015, Spring 2016, Spring 2017, spring 2018, Spring 2019, Spring 2020, Spring 2021, Spring 2022, Spring 2023, Spring 2024, Spring 2025.
  • Enrolment Statistics (Spring 2002, recent)
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