KJE-2001 Molecular physical chemistry and foundations of spectroscopy - 10 ECTS
Knowledge: The candidate¿
- will use the postulates of quantum mechanics to solve exactly the simplest systems: particle in a box, particle on a circle
- will explain the features of such models in light of their respective wavefunction
- will analyze more advanced solvable models (particle on a sphere, harmonic oscillator, hydrogen atom) through the knowledge of the easier ones (box, circle)
- will be able to explain the features of atomic and molecular systems in light of the knowledge acquired about solvable models
- will be able to explain the Boltzmann distribution and the partition function
- will be able to describe the main general features of spectroscopic methods to investigate the molecular structure
- will use the acquired fundamental knowledge to interpret simple rotational, vibrational and vibrational-rotational spectra
- will be able to describe the main features of electronic spectra and the underlying dynamics of the excited states
- will be able to identify and describe the fundamental features and underlying principles of more advanced spectroscopic techniques: Raman spectroscopy (vibrational and rotational), Magnetic spectroscopy (NMR, EPR).
Skills: The candidate¿
- will be able to solve simple problems for the model systems (particle in a box, particle on a circle/sphere, harmonic oscillator, hydrogen atom)
- will explain atomic properties/structure and spectroscopy in light of the principles of quantum mechanics and the solvable models
- will relate the main features of molecular spectroscopy (e.g. band structure, band intensity, shape, energy range) to the acquired knowledge of quantum mechanics
- will be able to explain the details of simple molecular spectra and relate them to the molecular structure (e.g. bond length and strength, connectivity, electronic structure)
- will be able to explain and make use of the Hückel model to explain the electronic structure of conjugated compounds, with particular reference to the concept of aromaticity
- will be able to make use of statistichal mechanics to explain observable phenomena such as features of molecular spectra, heat capacities, phase transitions.
General competence: The candidate...
- will be able to explain the main traits of quantum mechanics and the main differences with respect to classical mechanics
- will be able to use quantum mechanics arguments to describe the structure of atoms and molecules
- will be able to analyze the main features of atomic and molecular spectra, relating them to the molecular structure and to the underlying laws of quantum mechanics
- will be able to connecthrough statistical mechanics and the molecular partition functions. t molecular structure to thermodynamic quantities (free energy, heat capacity) through statistical mechanics and the molecular partition functions.