Spectroscopy B 1200-1ENSPEBW4

The lecture is aimed at:
a) systematic presentation of knowledge necessary for informed application of spectroscopic methods in chemistry
b) making the student acquainted with theoretical basics of the most important methods of molecular spectroscopy
c) making the student acquainted with methodology of spectroscopic experiments and interpretation of the spectra

The introductory part will be a reminder course in the properties of electromagnetic radiation and in the basics of quantum chemistry (quantization of electronic, vibrational and rotational energy of a molecule). Next, the relation between the structure of molecular energy levels and the form of absorption, emission and Raman spectrum will be explained, together with the relation between quantum states of a molecule and spectral intensity. The Boltzmann distribution will be introduced. The most important ideas of group theory as applied to molecular symmetry will be introduced. The next lectures will be focused on the following spectroscopic techniques. Rotational spectroscopy – energy levels of a two-atomic rigid rotator, rotations of polyatomic molecules, microwave spectrum and rotational Raman effect. Vibrational spectroscopy – harmonic and anharmonic oscillator, energy levels and wave functions of two-atomic harmonic oscillator, normal vibrations, IR and vibrational Raman spectra, resonance Raman effect, application of group theory in interpretation of vibrational spectra, Fermi resonance, rotational-vibrational spectra – selection rules, Fourier transformation. Electronic spectra, selection rules in atoms and molecules, application of group theory in interpretation of electronic spectra, vibrational and rotational structure of electronic spectra, determination of dissociation energy from electronic spectra, luminescence spectra. Circular dichroism. Photoelectron spectroscopy – the basics of XPZ, UPS and Auger spectroscopy. Electron spin resonance (ESR) –energy quantum levels of electron in external magnetic field, g factor, hyperfine structure of ESR spectra. Nuclear magnetic resonance (NMR) - energy levels of magnetic nuclei in external magnetic field, resonance condition, magnetic shielding of the nuclei, spin-spin coupling, magnetic and chemical equivalence of nuclei, 1H, 13C, 14N, 15N and 19F magnetic resonance, relaxation in NMR, nuclear Overhauser effect, multidimensional NMR spectra. NMR tomography. Possibilities of application of spectroscopic methods in solving various chemical problems (identification of organic compounds, establishing of the structure of chemical compounds, analytical applications).