| Expected results from this subject |
Training and Learning Results |
| Formulate molecular Hamiltonians, with use of the Born-Oppenheimer approximation and discussion of their consequences. |
|
|
C3
C20
C22
C23
|
D1
D3
D4
D5
D6
D7
D9
D12
D13
D14
|
| Work with potential energy profiles and surfaces and understand related concepts. |
|
|
C3
C19
C20
C22
C28
C29
|
D1
D3
D4
D5
D6
D7
D9
D12
D13
D14
|
| Apply MO and EV methods for describing the chemical bond in simple systems and understand the limitations of these methods. |
|
|
C3
C8
C19
C20
C21
C22
C23
C27
C28
C29
|
D1
D3
D4
D5
D6
D7
D9
D12
D13
D14
D15
|
| Describe orbital localization techniques and the basis for atomic orbital hybridisation. |
|
|
C3
|
D1
D3
D4
D6
D9
|
| Apply, with understanding of their foundations and their limitations, the main calculation methods (HF, DFT, post-HF) for the study of molecular structures. |
|
|
C3
C19
C20
C22
C23
C28
C29
|
D1
D3
D4
D5
D6
D7
D9
D12
D13
D14
|
| Describe the forms of radiation-matter interactions and formulate the selection rules of electrical dipole. |
|
|
C8
|
D1
D3
D4
D6
D9
|
| Relate the radiation frequency with the molecular motion responsible of a spectroscopic transition. |
|
|
C8
|
D1
D3
D4
D6
D7
D9
|
| Justify the broadening of spectral lines and the enviromental effects on different spectra. |
|
|
C8
|
D1
D3
D4
D6
D9
|
| Interpret rotation and vibration-rotation spectra to obtain structural information, making use of simple quantum-mechanical models (rigid and flexible rotor and harmonic and anharmonic oscillators), selections rules and line assignment techniques. |
|
|
C3
C8
C19
C20
C22
C23
C27
C28
C29
|
D1
D3
D4
D5
D6
D7
D9
D12
D13
D14
|
| Discuss the Franck-Condon principle and its consequences. |
|
|
C3
C8
|
D1
D3
D4
D6
D9
|
| Interpret electronic and photoelectronic spectra and obtain structural information. |
|
|
C3
C8
C19
C22
|
D1
D3
D4
D5
D6
D7
D9
|
| Describe the different deactivation processes of excited electronic states and their representation in a Jablonski diagram. |
|
|
C8
C19
|
D1
D3
D4
D6
D9
|
| Describe the foundations of magnetic resonance spectroscopies, and interpret the physical origin of chemical shifts and couplings in NMR spectra. |
|
|
C8
C19
C22
|
D1
D3
D4
D6
D9
|
| Describe the instrumental peculiarities of the spectroscopic techniques in different spectral regions, as well as the foundations and applications of laser and Fourier-transform based techniques. |
|
|
C8
|
D1
D3
D4
D6
D9
|
| Apply the theoretical knowledge of Physical Chemistry I to determine experimentally chemical equilibrium constants, activity coefficients and thermochemical magnitudes. |
|
|
C6
C19
C20
C21
C23
C27
C28
C29
|
D1
D3
D4
D5
D6
D7
D8
D9
D12
D13
D14
D15
|
| New |
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