Syllabus
1. Molecular structure and molecular vibrations: normal coordinates, normal vibrations, symmetry of normal vibrations. Methods of experimental studies of vibrational transitions-principles and selection rules.
2. Fundaments of optical spectroscopy methods: characteristics of electromagnetic radiation, interaction of radiation with matter: scattering and absorption, complex refraction index, dielectric function, basic scheme of an optical spectrometer.
3. Principles, methodology and applications of infrared (IR) spectroscopy.
4. Principles, methodology and applications of Raman spectroscopy (for non-resonant, linear Raman scattering processes).
5. IR and Raman spectral data processing and evaluation.
6. Vibrational spectra of the isolated and of the interacting molecules: Effects of intermolecular interaction on IR and Raman spectral bands parameters. Vibrational spectra of crystals.
7. Interpretation of vibrational spectra: Empirical interpretation of vibrational spectra: concepts and targeted experiments. Normal coordinate analysis (NCA). Example: NCA of H2O molecule by Wilson's GF matrix method.
8. Resonance Raman scattering (RRS): Theory: sum over states model-A term and B term resonance: selection rules. Methodology: instrumentation and sample handling. Examples and applications: estimates of the differences between the structure of a molecule in the ground and in the resonant excited electronic state from RR excitation profiles, RR spectra and electronic structure of porphyrins.
9. Surface-enhanced Raman scattering (SERS) and surface-enhanced resonance Raman scattering (SERRS) : Theory: electromagnetic mechanism (EM) and chemical mechanisms of SERS; combination of EM mechanism and RRS in the mechanism of SERRS. Methodology: instrumentation and sample preparation-adsorption of molecules and ions at SERS-active surfaces. Examples and applications: analytics and bioanalytics, surface chemistry and photochemistry, formation surface complexes with photoinduced charge transfer. SERS and SERRS of single molecule.
10. Non-linear Raman scattering: principles, instrumentation and some applications of hyper-Raman scattering and of non-linear Raman spectroscopies based on third order susceptibilities. Example: coherent anti-Stokes Raman scattering (CARS).
11. Time-resolved IR and Raman spectroscopy: principles, instrumentation and selected examples and applications.
Annotation
The course introduces principles and methods of measurement and interpretation of vibrational spectra of molecules, molecular assemblies and crystals. The course is focused on fundaments, methodology and applications of infrared (IR) and Raman spectroscopy (both stationary and time-resolved) including resonance Raman spectroscopy, surface-enhanced Raman scattering spectroscopy and non-linear Raman spectroscopy.
Advanced course-fundaments provided in Physics I and II and Chemical structure courses.
The course is taught in English for ERASMUS