Degree | Type | Year |
---|---|---|
2502444 Chemistry | OB | 3 |
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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.
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 |
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 Notes
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. Despite this, the use of Catalan and Spanish will also be accepted in both cases.
Annotation: Within the schedule set by the centre or degree programme, 15 minutes of one class will be reserved for students to evaluate their lecturers and their courses or modules through questionnaires.
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 |
Students could choose between two different evaluation modes: continuous evaluation and one-step evaluation.
Continuous evaluation
The overall mark will be broken down as follows:
Problems solving (15%) + Midterm Exam 1 (35%) + Midterm Exam 2 (50%) = 100%
The evaluation of students will comprise the following items:
Problem solving: A number of short exercises will be periodically handed out to the students. A mark will be given to each exercise. The weighted average mark of the exercises will account for 15% of the overall mark of the course.
Written exams: Two exams will be held during the course and they will account for 35% and 50% of the overall grade of the course, respectively.
To pass the subject, students must fulfil both of the following requisites:
A) The weighted average mark of the two exams must be at least 5/10.
B) The overall mark (problems + Midterm Exam 1 + Midterm Exam 2) should be at least 5/10.
In the case that these conditions are not met, a retake exam is also scheduled and will be compulsory for those with a weighted average mark for the two midterm 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 exams during the course are eligible to take the retake exam.
For those students taking the retake exam, the overall mark will be computed as follows:
Problems solving (15%) + Retake Exam (85%) = 100%
The formula will apply to all students who have taken the retake exam, regardless of whether the new mark is higher or lower than the original.
To pass the subject, students must fulfil both of the following requisites:
A) The grade of the retake exam must be at least 5/10.
B) The overall grade (problems + retake exam) should be at least 5/10
One-step evaluation
The overall mark will be directly obtained from a single final exam to be held at the end of the semester. If the mark of this exam is lower than 5/10, students should take a retake exam. Those with a passing grade but who wish to improve their mark may also take the retake exam. In both cases, the mark from the retake exam will replace that previously obtained for the single final exam. Only those students that have taken tha pevious exam will be eligible to take the retake exam.
To pass the subject, students must fulfil the following requisite:
A) The mark of the single final exam (or of the retake exam if necessary) must be at least 5/10.
Students taking less than 1/3 of the evaluation items will be graded as "no avaluable".
a) Text books
b) Problems
c) Tables
Does not apply
Name | Group | Language | Semester | Turn |
---|---|---|---|---|
(PAUL) Classroom practices | 1 | English | first semester | morning-mixed |
(PAUL) Classroom practices | 2 | English | first semester | afternoon |
(TE) Theory | 1 | English | first semester | morning-mixed |
(TE) Theory | 2 | English | first semester | afternoon |