Subjects

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Structural Analysis of Molecules - AP110010

Title:	Structural Analysis of Molecules
Guaranteed by:	Department of Organic Chemistry (110)
Faculty:	Faculty of Chemical Technology
Actual:	from 2024
Semester:	both
Points:	0
E-Credits:	0
Examination process:
Hours per week, examination:	3/0, other [HT]
Capacity:	winter:unknown / unknown (unknown) summer:unknown / unknown (unknown)
Min. number of students:	unlimited
State of the course:	taught
Language:	English
Teaching methods:	full-time
Teaching methods:	full-time
Level:
Is provided by:	P110010
Note:	course is intended for doctoral students only can be fulfilled in the future you can enroll for the course in winter and in summer semester

Guarantor:	Kohout Michal prof. Ing. Ph.D.
Classification:	Chemistry > Analytical Chemistry
Interchangeability :	P110010

Examination dates

Annotation -

This subject is focused on the application of theoretical fundamentals of spectroscopic methods, such as NMR, IR, UV and mass spectrometry for solving synthetic and synthetico-analytical issues in real life. Students will familiarize with advanced methods in structural analysis of molecules including the practical use of instrumentation (e.g. acquisition of multidimensional NMR spectra).Furthermore, modern separation methods, such as high-performance liquid chromatography with mass detection (HPLC-MS) and supercritical fluid chromatography with mass detection (SFC-MS) will be introduced. Practical demonstrations of the instruments (NMR, SFC-MS, preparative HPLC, etc.) are also a part of this course. Subsequently, students will apply obtained theoretical knowledge as well as practical skills for solving a project, the goal of which is the identification of an unknown substance.

Last update: Pátková Vlasta (19.11.2018)

Aim of the course -

Students will be able to:

Design and optimize sample preparation method for organic substances;

Employ HPLC and SFC separation methods for purification/chiral separation of an organic substance;

Use NMR, IR and mass spectrometry for structure determination of an organic substance;

Interpret more complex NMR, IR, UV and MS spectra;

Identify unknown organic substance.

Last update: Pátková Vlasta (19.11.2018)

Course completion requirements -

It is compulsory to present the process of identification of an unknown substance present in a given sample (50%), and to pass successfully the oral examination (50%).

Last update: Pátková Vlasta (19.11.2018)

Literature -

Basic information on the topics can be found in:

Williams D.H., Fleming I.: Spectroscopic methods in organic chemistry. 6. vydání. ISBN-13: 978-0077118129

Richards S.A., Hollerton J.C.: Essential Practical NMR for Organic Chemistry, 2011 John Wiley & Sons, ISBN: 978-0-470-71092-0

https://onlinelibrary.wiley.com/doi/book/10.1002/9780470976401

Meyer V.R.: Practical High-Performance Liquid Chromatography, 5. vydání, Wiley 2010, ISBN-13: 978-0470682173

Last update: Pátková Vlasta (19.11.2018)

Syllabus -

1. Overview of methods of structural analysis of molecules – introduction, basic terms and principles.

2. Identification of unknown substances: sample preparation and strategy of problem handling.

3. Sample preparation – techniques and methods for different types of analyses.

4. Basic characterization of a sample by means of reversed phase HPLC, method optimization.

5. Utilization of other chromatographic modes – HILIC, IEX in HPLC and SFC.

6. Introduction to chiral separation – chiral stationary phases, applications and limitations.

7. Introduction to preparative chromatography.

8. Coupling of liquid chromatography with mass spectrometry – basic principles.

9. Structural characterization of molecules with NMR spectroscopy.

10. Supportive methods for characterization of an unknown substance – IR an UV spectroscopy.

11. Mass spectrum and its use in the identification of molecules.

12. Chirooptic methods and their application in enantiomer identification.

13. Collective solving of problems encountered during the characterization of unknown samples.

14. Presentation of the procedure of identification of an unknown substance in assigned samples.

Last update: Pátková Vlasta (19.11.2018)

Learning resources -

Materials available at e-learning portal of the subject.

Advanced reading on the topics can be found on-line in monographs:

https://onlinelibrary.wiley.com/doi/book/10.1002/9780470988749

https://onlinelibrary.wiley.com/doi/book/10.1002/9781118647042

https://onlinelibrary.wiley.com/doi/book/10.1002/9783527611737

https://onlinelibrary.wiley.com/doi/book/10.1002/9780471980582

https://onlinelibrary.wiley.com/doi/book/10.1002/9781118120187

https://onlinelibrary.wiley.com/doi/book/10.1002/0471690082

https://onlinelibrary.wiley.com/doi/book/10.1002/9783527654703

https://onlinelibrary.wiley.com/doi/book/10.1002/0470079096

https://onlinelibrary.wiley.com/doi/book/10.1002/9783527611973

https://onlinelibrary.wiley.com/doi/book/10.1002/9783527809202

https://onlinelibrary.wiley.com/doi/book/10.1002/9780470516898

https://onlinelibrary.wiley.com/doi/book/10.1002/0471736589

https://onlinelibrary.wiley.com/doi/book/10.1002/9780470395813

Last update: Pátková Vlasta (19.11.2018)

Registration requirements -

Organic Chemistry, Physical chemistry, Structural analysis

Last update: Pátková Vlasta (19.11.2018)