English

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basic matrix algebra knowledge

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Introduction to symmetry:
symmetry operations, molecular symmetry, algebra of symmetry operations, matrix representations, dipole moments and optical activity
Point groups:
determination of point groups for molecules, Gamma 3N representation (rotation and translation), reducible and irreducible representations.
Molecular vibrations:
normal coordinates, infrared and Raman spectroscopy, valence vibrations.
Molecular orbital theory:
Transformation properties of molecular orbitals, Hartree-Fock approximation, Huckel molecular orbital method, hybrid orbitals for sigma bonding systems, hybrid orbitals for pi bonding systems.
Electronic structure of atoms and molecules:
Free ion (spin-orbit coupling), Ions in fields of non-spherical symmetry, terms and multiplets, introduction to crystal field and ligand field theory, introduction to magnetism (basic terms, spin and orbital contributions).
UV-VIS spectroscopy:
selection rules, correlation diagrams (weak and strong crystal fields), overview of spectral and magnetic properties of coordination compounds.
Introduction to crystallography:
history, basic terms, symmetry operations in crystallography, stereographic projection, crystallochemistry, crystallization processes, types of crystal defects, interactions of X-rays with matter, sources and detection of X-ray.
Lattices:
Real and reciprocal lattices, Miller indices, point groups, 2D groups, space groups
X-ray diffraction:
Laue and Bragg equations; Ewald's scheme, scattering and structural factor F(hkl), factors influencing the diffraction intensity, X-ray diffraction methods (for single crystals, SC, and powders).

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The aim of this course is to give an overview of group theory applications in chemistry and material physics.

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B. S. Tsukerblat – Group Theory in Chemistry and Spectroscopy
T. A. Albright, J.K. Burdett and M-H. Whangboo – Orbital Interactions in Chemistry
G. D.Zhou, W-K. Li and S. Mai – Advanced Structural Inorganic Chemistry
W. Clegg – X-Ray Crystallography

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