Physico-Chemical Methods of Investigation Applied to Molecular Systems and Nanostructured

The symmetry of molecules. Group theory: type of symmetry, irreducible representations and characters, and symmetry groups. Reduced representations and symmetry adapted molecular basis. Relation between molecular symmetry and degeneration of energetic levels. Using the integrand symmetry for detecting zero transition probability. The Born-Oppenheimer approximation and the molecular orbitals: linear combination of atomic orbitals and symmetry adapted linear combinations of atomic orbitals. Rovibrational (IR/Raman) spectroscopy: absorption, emission and Raman processes. Molecular symmetry properties. Selection rule for rotational and rotational Raman spectroscopy. Harmonic oscillator and vibrational selection rules. Poli-atomic molecules: normal modes, group theory and molecular vibrations; anharmonic effects.
Vibro-electronic spectroscopic transitions (UV/Vis): the biatomic excited states and the selection rules. Vibronic transition and the Franck-Condon principle. Electronic spectra of poliatomic molecules: the importance of the symmetry, vibro-electronic allowed and forbidden transitions, singlet-triplet transition. Nonradiative decay, radiative decay ( phosphorescence and fluorescence). Photochemistry reactions. Molecules under external electric fields: electronic polarizability, Kuhn.Thomas sum rule, London forces and the 1/R^6 dependency. Vector function and potential. Nuclear magnetic resonance: shielding constant and diamagnetic and paramagnetic contribution. Spin couplings and hyperfine constants.