Syllabus
1. Atom. Quantum chemical postulates, one-electron atoms and ions, model of independent electrons, SCF method, variational principle, spectroscopic symbols, spin-orbital coupling, atomic spectra.
2. Bonding in diatomics. Born-Oppenheimer approximation, potential energy surface, valence bond method, molecular orbital theory, symmetry, classification of MO, photoelectronic spectra, spectral symbols.
3. Elctronic strcutre of many-atomic molecules and bonding in condense phase Localized vs delocalized orbitals, MO LCAO method, hybrid orbitals, classification of MO and electronic states, Huckle MO theory, ligand field theory, Jahn-Teller effect, molecules with electronic deficit and excess, woodward-hofmann rules, weak inter-molecular interactions, types of chemical bonds, crystals and clusters.
4. Molecular structure and molecular spectra Overview of methods for the study of molecular structre, adsorption and emission spectra, line width and life time of excited states, selection rules. Rotationa spectra, vibrational spectra, Raman spectra, electronic spectra. Franck-Condon principal, relation between strcutre and line position, deactivation, fluorescense and phosphorescense spectra. Photoelectronic spectroscopy, stimulated emission, lasers, NMR spectra, chemical shift, relaxation path, ESR, mass spectrometry, ORD and CD.
Annotation
Chemical structure course shows the basic principles of electronic structure of atoms, molecules, chemical bonds and it outlines the principles of experimental methods used for the investigation of the structure of molecules and materials. Course provides the theoretical background for number of follow-up specialized courses.