| Competences |
| Type A | Code | Competences Specific |
| Common | ||
| AC1 | Make correct use of modern techniques for characterizing chemical compounds. | |
| AC3 | Correctly apply the most advanced methodologies in synthesis and catalysis. | |
| AC6 | Have a fluent command of the specialized terminology in English related to the fields of synthesis, catalysis and molecular design. | |
| AC8 | Design synthesis routes for new products using modern techniques of chemical synthesis, chemical and physical structural characterization, high performance experimentation, data analysis and computational chemistry. | |
| Type B | Code | Competences Transversal |
| Common | ||
| BC2 | Solve complex problems in multidisciplinary contexts related to the field of study. | |
| BC3 | Apply critical, logical, creative and cutting-edge thinking in a research context. | |
| BC6 | Communicate information, ideas, problems and solutions in a clear and effective manner in spoken and written English. | |
| Type C | Code | Competences Nuclear |
| Common | ||
| CC1 | Make sophisticated use of advanced information and communication technologies. | |
| CC2 | Manage information and knowledge. | |
| Learning aims |
| Objectives | Competences | ||
| AC1 AC3 AC6 AC8 |
BC2 BC3 BC6 |
CC1 CC2 |
|
| Understanding the instrumental aspects and advanced applications of mass spectrometry. | |||
| Understanding the physical principles and the instrumental aspects of pulsed nuclear magnetic resonance and its application to the resolution of complex structures. | |||
| Evaluating and obtaining the information that can be provided by using mass spectrometry with other techniques. | |||
| Combining mass spectrometry with other techniques to determine structures and to solve chemical problems. | |||
| Description of the NMR spectral parameters. Effects of the molecular symmetry of the spectral parameters. | |||
| Applying different experiments of pulsed NMR and two-dimensional resonance to the characterization of molecular compounds. | |||
| Interpreting the results obtained by characterizing samples with different characteristics. | |||
| Choosing the correct characterization techniques for obtaining the desired information. | |||
| Critically evaluating information and incorporating it into the knowledge base. | |||
| Contents |
| Topic | Sub-topic |
| MASS SPECTROMETRY |
|
| 1. Introduction. Definitions. High resolution, low resolution. | |
| 2. Ionization methods. |
2.1.- Electron Ionization. Fundamentals. Mechanisms, fragmentations. 2.2. Chemical ionization. Fundamentals. Examples. 2.3. FAB, SIMS, MALDI. Fundamentals. Examples. 2.4. Atmospheric Pressure Ionization (API) techniques. ESI and APCI: Fundamentals. Description. |
| 3.- Instrumentation |
3.1.- Analyzers: Quadrupole, Magnetic Sector, Ion Trap, Time of flight (TOF), Fourier Transform Ion Ciclotron Resonance (FT-ICR). 3.1.1.- Mass Spectrometry in tandem: MS/MS, MSn. 3.2.- Detectors: Faraday Cup, Multichannel plate… |
| 4.- Hyphenated Methods: GC-MS, LC-MS |
|
| MAGNETIC NUCLEAR RESONANCE |
|
| 5. Presentation. Aims. Bibliography. | |
| 6. Theoretical basis of NMR. The nucleus in a magnetic field. Vector model. Pulses. Relaxation. | |
| 7. Pulse Experiments. Spectra in the time domain and frequency domain. Operators. |
|
| 8. Instrumental aspects. Acquisition and processing of spectra. |
|
| 9. Spectral parameters in NMR: Magnetic symmetry and equivalence. Second order effects. Simulation programmes. Exchange processes and dynamical systems. |
|
| 10. Spectral modifications: Shift reagents. Spin uncoupling. Nuclear Overhauser effect. |
|
| 11. Multiple pulse experiments. |
|
| 12. Bidimensional resonance experiments. |
|
| 13. Other experiments in NMR. |
|
| 14. Practical cases and problem solving. |
| Planning |
| Methodologies :: Tests | |||||||||
| Competences | (*) Class hours | Hours outside the classroom | (**) Total hours | ||||||
| Introductory activities |
|
1 | 0 | 1 | |||||
| Lecture |
|
30 | 41 | 71 | |||||
| Seminars |
|
19 | 19 | 38 | |||||
| Presentations / oral communications |
|
6 | 18 | 24 | |||||
| Personal attention |
|
4 | 0 | 4 | |||||
| Mixed tests |
|
4 | 8 | 12 | |||||
| (*) On e-learning, hours of virtual attendance of the teacher. (**) The information in the planning table is for guidance only and does not take into account the heterogeneity of the students. | |||||||||
| Methodologies |
| Description | |
| Introductory activities | To introduce the subject. |
| Lecture | Description of the contents of the subject. |
| Seminars | In-depth work on a particular topic. Further discussion of the lecture content, which is linked to professional skills. Application to practical cases. |
| Presentations / oral communications | Oral presentation by students of a particular issue or case studies (previously presented in writing). |
| Personal attention | Time that each teacher has to speak to pupils and resolve their doubts. |
| Personalized attention |
|
|
| Assessment |
| Description | Weight | ||
| Mixed tests |
System of continuous assessment, divided as follow: -Tests: 55% -Written exams: 45% |
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| Other comments and second exam session | |||
|
System of continuous assessment, divided as follow: -Tests: 55% -Written exam: 45% This subject is evaluted by continuous assessment and there's no second call. During the exams, any mobil telephone, tablet or other device that has not been expressly authorized for the exam must be switched off and out of view.
|
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| Sources of information |
| Basic |
Hore, P. J., Nuclear Magnetic Resonance, Oxford Chemistry Primers 32., 1995
Friebolin, Horst, Basic One- and Two-Dimensional NMR Spectroscopy, Wiley-VCH, Weinheim., 2005
Claridge, Timothy D. W., High-Resolution NMR Techniques in Organic Chemistry, Pergamon Press, Oxford., 1999
Sanders, Jeremy K. M.; Constable, Edwin C.; Hunter, Brian K.; Pearce, Clive M., Modern NMR Spectroscopy. A Workbook of Chemical Problems., Oxford University Press, Oxford., 1993
Mitchell, Terence N.; Costisella, Burkhard, NMR – From Spectra to Structures., Springer-Verlag, Berlin., 2004
Bigler, P., NMR Spectroscopy: Processing Strategies, 2nd Ed., Wiley, 2000
Mitchell, T. N., Costisella, B., NMR – from Spectra to Structures an Experimental Approach, 2nd edition, Springer, 2007
Jacobsen, N. E., NMR Spectroscopy Explained, Wiley-Interscience, 2007
Simpson, J. H., Organic Structure Determination Using 2-D Nmr Spectroscopy - a Problem-Based Approach, Elsevier, 2008
McLafferty F.W. , Interpretation of Mass spectra, University Science Books, 1993
Sparkman David, Mass Spec Desk Reference, Global View Publishing, 2006
de Hoffmann Edmond , Stroobant Vincent ,, Mass Spectrometry: Principles and Applications, Wiley-Interscience, 2007
Watson,J. Throck ; Sparkman David , Introduction to Mass Spectrometry: Instrumentation, Applications, and Strategies for Data Interpretation, Wiley, 2007
Dass Chhabil, Fundamentals of Contemporary Mass Spectrometry, Wiley-Interscience, 2007
Desiderio, Dominic M.; Nibbering, Nico M., Mass Spectrometry: Instrumentation, Interpretation, and Applications, Wiley, 2008
Smith, Brian C., Infrared Spectral Interpretation: A Systematic Approach, CRC press, 1999
Stuart, Barbara H., Infrared Spectroscopy: Fundamentals and Applications, John Wiley and Sons, 2004
Brisdon, A. K., Inorganic Spectroscopic Methods, Oxford University Press, Oxford, 1998
Nakamoto, K., Infrared and Raman Spectra of Inorganic and Coordination Compounds, Wiley, New York, 4th Ed, 1986
Heaton, Brian, Mechanisms in Homogeneous Catalysis: A Spectroscopic Approach, Wiley-VCH, 2005 |
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| Complementary | |||||||||
| Recommendations |
(*)The teaching guide is the document in which the URV publishes the information about all its courses. It is a public document and cannot be modified. Only in exceptional cases can it be revised by the competent agent or duly revised so that it is in line with current legislation.