Degree | Type | Year | Semester |
---|---|---|---|
2502444 Chemistry | OB | 3 | 1 |
This course aims at providing the students with basic tools for the analysis of the spectroscopic data of organic and inorganic molecular compounds, thus enabling the students to elucidate their structure. Various spectroscopic and spectrometric techniques will be considered (mass spectrometry and UV-vis, infrared and nuclear magnetic resonance spectroscopies), though most efforts will be devoted to the analysis of NMR data.
Specific goals of this subject are:
1. Introduction to Mass Spectrometry (MS)
Background and the experimental method. Spectral resolution. Isotope analysis. Fragmentation processes: homolytic and heterolytic bond cleavage. Fragmentation patterns associated to specific functional groups. Examples.
2. Basic concepts in Electronic (UV-Vis), Infrared (IR) and Nuclear Magnetic Resonance (NMR) Spectroscopies.
The experimental methods. UV-vis chromophores in organic molecules. IR absorptions of organic functional groups and interpretation of IR spectra. Functional group charts (IR). Basic aspects of NMR spectra: chemical shifts, spectral ranges and referencing.
3. 1H NMR: the chemical shift.
Shielding mechanisms. Topical relationships and molecular symmetry. Other factors influencing the chemical shift: magnetic anisotropy, solvent effects. Correlations: hydrogens linked to carbon, hydrogens linked to other nuclei. Spectral simulations. Examples.
4. 1H NMR: spin-spin coupling.
Basic concepts on spin-spin interaction, coupling constants and multiplicity patterns. The Karplus equation. Spin systems: the Δν/J ratio, first and second order spectra. Heteronuclear couplings. Examples.
5. 1H NMR: analysis of the spectra.
Time-dependent phenomena. Methods of analysis. Simplification of spectra: changing the magnetic field, spin decoupling, shift reagents. Cross-relaxation and the nuclear Overhauser effect (NOE). Introduction to 2D NMR spectroscopy. Examples.
6. 13C NMR.
Overview. Recording methods (broad band, off-resonance, DEPT). Chemical shifts: additivity and spectral simulations. Spin-spin couplings. Analysis of the spectra. Examples
7. NMR of other nuclei.
1H NMR in inorganic compounds, including metal complexes. 31P NMR, 19F NMR, 14N and 15N NMR. Metal complexes: multinuclear NMR.
8. Structural determination.
Combined application of the spectroscopic techniques. Examples.
Two different types of activities will be developed in the classroom:
Theory Lectures
The lecturer will explain the contents of the course to the classroom using blackboard or multimedia material, which will be made available to the students in the "Moodle". After a set of lecture sessions taking place during the initial weeks to introduce basic concepts, the rest of the theory lectures will be based on a "problem-based learning" approach. Students will be required to solve spectroscopic exercises during these sessions, for which a mark will be given.
Problem-solving Sessions
A set of exercises will be made available to all students in the "Moodle" at the beginning of the course. Several of these will be discussed by a teaching assistant during the problem-solving sessions. Alternatively, students will be required to solve spectroscopic exercises during these sessions, for which a mark will be given.
Important Note
Teaching, including all teaching and evaluation materials (e.g. slides, problems, exams), will be given in English. Students are encouraged to use English as well when answering evaluation materials or communicating to the professors. In spite of this, the use of Catalan and Spanish will also be accepted in both cases.
Title | Hours | ECTS | Learning Outcomes |
---|---|---|---|
Type: Directed | |||
Problem-solving Sessions | 12 | 0.48 | 5, 4, 20, 7, 13, 8, 9, 10, 23, 3, 15, 16, 17, 19, 22 |
Theory Lectures | 37 | 1.48 | 5, 6, 4, 20, 7, 8, 9, 10, 23, 3, 15, 16, 17, 19, 22 |
Type: Autonomous | |||
Personal study | 43 | 1.72 | 11, 6, 20, 12, 13, 23, 3, 14, 16, 17, 18 |
Problem Solving | 46 | 1.84 | 1, 11, 5, 6, 20, 7, 12, 13, 8, 10, 23, 3, 14, 15, 16, 17, 18, 19, 22, 21 |
1. The overall grade will be broken down as follows:
Problems solving (15%) + 1st Midterm Exam (35%) + 2nd Midterm Exam (50%) = 100%
The evaluation of students will comprise the following items:
To pass the subject, students must fulfill both of the following requisites:
A) The weighted average mark of the two partial exams must be at least 5/10.
B) The overall mark (problems + MT1 + MT2) should beat least 5/10.
2. A final exam is also scheduled and will becompulsory for those with a weighted average mark for the two partial exams lower than 5/10. Those with a passing grade but who wish to improve their mark may also take the final exam.
Only those students that have taken both Midterm exams are eligible to take the Final exam.
For those students taking the final exam, the overall mark will be computed as follows:
Problems solving (15%) + 1st Midterm Exam (10%) + 2nd Midterm Exam (15%) + Final Exam (60%) = 100%
The formula will apply to all students who have taken the final exam, regardless of whether the new mark is higher or lower than the original.
To pass the subject, students must fulfill both of the following requisites:
A) The weighted average mark of all three exams must be at least 5/10.
B) The overall grade (problems + MT1 + MT2 + Final Exam) should be at least 5/10
Students taking less than 1/3 of the evaluation items will be graded as "no presentat".
Title | Weighting | Hours | ECTS | Learning Outcomes |
---|---|---|---|---|
Exams | 85% | 8 | 0.32 | 1, 11, 5, 4, 20, 7, 12, 13, 8, 9, 10, 23, 3, 14, 15, 16, 17, 18, 19, 22 |
Problem Solving | 15% | 4 | 0.16 | 1, 2, 11, 5, 6, 4, 20, 7, 12, 13, 8, 9, 10, 23, 3, 14, 15, 16, 17, 18, 19, 22, 21 |
a) Text books
b) Problems
c) Tables