Master Advanced Functional Materials (FAME) Wintersemester 2015/2016
01209 Chemical Physics I [V]
Dozent Eickerling G., Scherer W.
Dauer 3 SWS
Studiensemester 0
Schein Nein
Termin Di, 8:15-09:45 u. Fr, 8:15-09:00, T-2003
Inhalt 1. Basics of quantum chemical methods [8]
a) Extended Hueckel method (EHM)
b) Modern quantum chemical methods of chemical physics
c) Application: exemplary calculations and interpretation of simple electronical structures

2. Molecular symmetry and group theory
a) Symmetry operations and matrix transformations
b) Point groups
c) Reducible and irreducible representations
d) Character tables
e) Application: infrared- and ramanspectroscopy,NMRspectroscopy

3. The electronical structure of transition metal complexes
a) Ligand field theory and angular-overlap model (AOM)
b) The physical basics of the spectrochemical series
c) Molecular orbital theory of transition metal complexes
d) Application: UV/vis-spectroscopy, molecular magnetism
Vorkenntnisse requirements acc. to the regulations of study: none
recommended prerequisites: It is recommended to complete the experiments FP11 (IR-spectroscopy) and FP17 (Raman-spectroscopy) of the module ”Physikalisches Fortgeschrittenenpraktikum”.
Weitere Informationen Acquired skills and knowledge

The students:
  • know the basics of the extended-H¨uckel-method and the density functional theory,
  • know the basics of group theory,
  • are able to apply the knowledge gained through consideration of symmetry from vibration-, NMR-, and UV/Vis-spectroscopy, and
  • are able to interpret and predict the basical geometric, electronical and magnetical properties of transition metal complexes.
  • Integrated acquirement of soft skills: ability to specialize in a scientific topic and to apply the the acquired knowledge for solving scientific problems.

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