Qualitative spects of molecular electronic structure. |
- Born-Oppenheimer approximation.
- The H2+ molecule.
- The MO method for homonucler and heteronuclear diatomic molecules.
- The MO method in polyatomic molecules.
- The VB method. |
Introduction to Molecular Spectroscopy. |
- Radiation-matter interaction: General approach.
- Transition dipole moment integral. Selection rules.
- Intensity and position of the spectral transitions.
- Instrumentation. |
Spectroscopy of Vibration-rotation. |
- Vibration-rotation spectra of diatomic molecules. Harmonic and anharmonic oscillator models with rotation depending on vibration.
- Vibration-rotation spectra of polyatomic molecules.
- Vibration-rotation Raman spectroscopy.
- Instrumentation and applications. |
Spectroscopies of Resonance. |
- Introduction to the magnetic resonance.
- Chemical shift.
- Spin-spin interaction. Coupling Constant.
- Electronic spin resonance Spectroscopy. |
Practices of Chemical Thermodynamics (six sessions) |
- Experimental determination of chemical equilibrium constants employing spectroscopic or potentiometric techniques.
- Experimental determination of combustion, dissolution, neutralisation, fusion or vaporisation enthalpies.
- Colligative Properties.
- Experimental determination of activity coefficients employing potentiometric techniques. |
Practices of Quantum Chemistry and Spectroscopy (seven sessions). |
- Computational study of the electronic structure of different molecules
- Computational Study of conformational isomery.
- Computational study of simple chemical processes.
- Prediction, theoretical interpretation and resolution of the vibration-rotation spectrum of HCl in gas phase.
- Electronic spectroscopy: Spectrum of the I2 molecule in gas phase. |