Teaching GuideTerm
Faculty of Science
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Grao en Química
  Physical Chemistry 2
Topic Sub-topic
Introduction to Spectroscopy Electromagnetic radiation and matter. Resonant and non-resonant processes. Radiation-matter interaction: classical approach. Semi-classical approach: Einstein's coefficients and dipolar transition moment. Spontaneous emission. Selection rules. Spectra types. Intensities of spectral lines and population of the energy levels. Bouger-Lambert-Beer law. Width and shape of spectral lines. Fourier transform.
Symmetry & Chemistry Symmetry elements and operations. Basic properties of point group symmetry. Point group representations: reducible and irreducible. Applications in Chemistry.
Rotation spectra Classification of molecules. Diatomic and linear molecules spectra. Intensity of the transitions and energy levels population. Centrifugal distorsion. Molecular structure determination. Experimental aspects of microwave spectroscopy: Stark effect and dipole moment.
Vibration- rotation spectrum Diatomic molecules.
Quantum harmonic oscillator approximation: energy levels. Anharmonicity. Empiric potentials. Selection rules. Dissociation energies. Rotation-vibration spectra.

Polyatomic molecules.
Classical treatment: normal modes & coordinates. Quantum mechanical approach: energy levels. Symmetry considerations. Selection rules. Group frequencies. Experimental techniques.

Raman spectroscopy.
Molecular polarizability & polarizabilty tensor. Rayleigh e Raman dispersion: classical treatment. Quantum approach. Pure rotation spectra. Rotation-Vibration spectra. Experimental techniques.
Electronic spectroscopy Diatomic molecules. Electronic states. Selection rules. Relative Intensities of Vibronic Transitions: Frank-Condon principle. Vibronic structure: progressions. Dissociation energy.

Polyatomic molecules.
Estructure and electronic states. Selection rules. Spectra of simple molecules. Cromophores.

Photoelectron spectroscopy.
Ionization processes. Experimental techniques. Ultraviolet photoelectron spectroscopy (UPS). X-ray photoelectron spectroscopy (XPS): chemical shift.
Fundamentals of Photochemistry Fluorescence & Phosphorescence: Jablonski -Perrin diagram. The basic laws of photochemistry. Quantum yield. Quenching. Photochemical processes.
Principles of Laser Operation The laser action. Laser types. Absorption and excitation spectroscopies: laser induced fluorescence. Raman spectroscopies.
Magnetic resonance spectroscopies Nuclear and electronic spin states: selection rules.

Nuclear magnetic resonance spectroscopy (NMR). Chemical shift: contributions to the shielding factor. Fine structure splitting, coupling. Fourier transform. Relaxation processes.

Electron spin resonance spectroscopy (ESR): fine and hyperfine structure. Experimental techniques and applications.
Diffraction methods General aspects of diffraction. X-ray diffraction. Bragg & Laue conditions. The structure factor. Crystal structure determination. Fourier synthesis. The phase problem. Neutron diffraction. Electron diffraction in gases. Wierl function & radial distribution function. Experimental techniques.
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