The aim of this course is to treat three of the major techniques for structural characterization of molecules: mass spectrometry, NMR, and X-ray techniques. It is largely focused on the physical chemistry of how these techniques.
Content
Weeks 1-5: Mass Spectrometry (Prof. Rizzo) • Introduction to mass spectrometry
• Masses of elements and molecules
• Isotopes and isotope distributions
• Figures of merit: mass accuracy and resolution
• Mass spectrometry instrumentation: Ion sources, mass analyzers, and detectors
• Tandem MS
• Ion mobility MS
• Combining MS with IR spectroscopy for molecular identification
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
- Professor: Christoph Bostedt
- Professor: Lyndon Emsley
- Professor: Thomas Rizzo
- Teacher: Snaedis Björgvinsdóttir
- Teacher: Jonas Knurr
- Teacher: Anna Morales Melgares
- Teacher: Bruno Simões de Almeida
