Advanced molecular spectroscopy

Course Code :2000WETGMS
Study domain:Chemistry
Academic year:2020-2021
Semester:1st semester
Contact hours:50
Study load (hours):168
Contract restrictions: No contract restriction
Language of instruction:English
Exam period:exam in the 1st semester
Lecturer(s)Christian Johannessen
Wouter Herrebout

3. Course contents *

Covered in lectures:


  • Sources
  • monochromators
  • polarization and non-linear optics
  • detectors
  • interferrometers
  • lasers
  • data handling: Phase sensitive detection, convolution, auto- and cross-correlation

Quantum mechanics in a practical setting:

  • Tensor formalism
  • Berny optimisation
  • Hessian matrices
  • Atomic Axial and Atomic Polar tensors in property tensor calculations
  • Polarisability and activity tensors
  • Resonance effects in optical spectroscopy
  • Fourier series and transforms, dicrete and fast FT

Covered in practicals:

  • FT-IR and VCD spectroscopy
  • Raman and ROA spectroscopy
  • Sample handling
  • Data analysis and post measuring handling
  • Conformational searching
  • Quantum mechanical calculations
  • Critical data analysis