Structural analysis
CH-314 / 4 credits
Teacher(s): Bostedt Christoph, Emsley David Lyndon, Miéville Pascal
Language: English
Summary
The aim of this course is to treat three of the major techniques for structural characterization of molecules used in chemistry and chemical engineering: mass spectrometry, NMR, and X-ray techniques.
Content
Weeks 1-5: Mass Spectrometry (Dr MER Miéville)
- introduction to molecular structures and representations
- Introduction to mass spectrometry
- Masses of elements and molecules
- Isotopes and isotope distributions
- Mass accuracy and resolution
- Fundamentals of molecular ionization processes
- Mass spectrometry instrumentation: Ion sources, mass analyzers
Weeks 6-10: NMR (Prof. Emsley)
- Principles of nuclear magnetism
- Quantum description of magnetic resonance leading to the vector model
- Interactions defining the spectrum: chemical shifts, scalar, dipolar and quadrupolar couplings
- Time-domain spectroscopy by pulsed excitation: interaction with radiofrequency fields, coherence, precession, signal induction and the Fourier Tranform
- Relaxation and the return to equilibrium
- Polarization transfer
- Multi-dimensional correlation spectroscopy
Weeks (11-14): X-ray (Prof. Bostedt)
- Introduction to x-rays and x-ray sources
- X-ray properties of the elements
- Diffraction and refraction
- Scattering and imaging
- X-ray spectroscopy
Keywords
Spectroscopy; Mass Spectrometry; Magnetic Resonance; NMR; X-Rays; Diffraction; Strucutre; Chemical Analysis;
Learning Outcomes
By the end of the course, the student must be able to:
Transversal skills
- Access and evaluate appropriate sources of information.
- Set objectives and design an action plan to reach those objectives.
Teaching methods
For Mass Spectrometry and NMR: the teaching is partly reversed with external individual readings from student with complementary information during lecture time and associated exercises. Mass Spectrometry and NMR are each based on a reference book completed with power point slides and videos.
Assessment methods
Graded exercises during the semester. Written final examination.
Resources
Bibliography
- Mass spectrometry / James McCullagh and Neil Oldham
- Understanding NMR spectroscopy / James Keeler
Ressources en bibliothèque
Moodle Link
In the programs
- Semester: Fall
- Exam form: Written (winter session)
- Subject examined: Structural analysis
- Courses: 3 Hour(s) per week x 14 weeks
- Exercises: 1 Hour(s) per week x 14 weeks
- Type: mandatory
- Semester: Fall
- Exam form: Written (winter session)
- Subject examined: Structural analysis
- Courses: 3 Hour(s) per week x 14 weeks
- Exercises: 1 Hour(s) per week x 14 weeks
- Type: mandatory
- Semester: Fall
- Exam form: Written (winter session)
- Subject examined: Structural analysis
- Courses: 3 Hour(s) per week x 14 weeks
- Exercises: 1 Hour(s) per week x 14 weeks
- Type: mandatory