Teaching GuideTerm Faculty of Science |
Grao en Química |
Subjects |
Physical Chemistry 2 |
Contents |
|
|
|
Identifying Data | 2019/20 | |||||||||||||
Subject | Physical Chemistry 2 | Code | 610G01017 | |||||||||||
Study programme |
|
|||||||||||||
Descriptors | Cycle | Period | Year | Type | Credits | |||||||||
Graduate | 2nd four-month period |
Second | Obligatory | 6 | ||||||||||
|
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. |
|