Teaching GuideTerm
Faculty of Science
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Grao en Química
 Subjects
  Química Física 2
   Contents
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. General aspects of instrumentation in spectroscopy: 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 Molecular rotation:classical treatment. Classification of molecules. Diatomic and linear molecules spectra. Intensity of the transitions and energy levels population. Centrifugal distorsion. Symmetric tops spectra. Asymmetric tops spectra. Molecular structure determination. Experimental aspects of microwave spectroscopy: Stark effect and dipole moment.
Vibrational spectroscopy 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. 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. Circular dicroism & rotatory optical dispersion. UV-VIS spectroscopy: experimental techniques & analytical applications.

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. Experimental techniques and applications.
Laser spectroscopy The laser action. Laser types. Absorption and excitation spectroscopies: laser induced fluorescence. Raman spectroscopies. Multiphoton ionization spectroscopy: TOF detection. Femtosecond spectroscopy: applications in chemical reaction dynamics. Experimental techniques.
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. Experimental aspects: 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 and applications.
Other spectroscopies and new trends in spectroscopy Mössbauer spectroscopy. Introduction to non-linear spectroscopies. Applications. New trends.
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