Structural analysis

CH-314 / 4 credits

Teacher(s): Bostedt Christoph, Boyarkine Oleg, Emsley David Lyndon

Language: English

Summary

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.

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

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.

Assessment methods

Written Examination

Resources

Moodle Link

In the programs

  • Semester: Fall
  • Exam form: Written (winter session)
  • Subject examined: Structural analysis
  • Lecture: 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
  • Lecture: 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
  • Lecture: 3 Hour(s) per week x 14 weeks
  • Exercises: 1 Hour(s) per week x 14 weeks
  • Type: mandatory

Reference week

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