The course aims to illustrate the simplest applications of modern quantum chemistry to organic chemistry: concepts and use of qualitative/semi-quantitative methods for the description of chemical reactions.
In particular, will be provided the elements to rationalize organic reactivity through symmetry properties (Woodward-Hoffmann rules) of the reactants and/or products, or by the analysis of the reaction profile (Frontier orbitals theory). It will also be provided the basic elements of quantum mechanics aimed at the description of ab-initio and semi-empirical methods used for the calculation of molecular properties.
Traditional lessons
Ricevimento: All days, by appointment.
MASSIMO OTTONELLI (President)
MARINA RUI (President)
MARINA ALLOISIO
MAURIZIO FERRETTI
Oral examination.
It is evaluated the student's ability to apply the methods studied, in the description of the molecules reactivity properties, by discussing specific cases combined with an audit of the depth and coherency of the knowledge and methodolgy described in the course. The oral examination is conducted by two faculty members and has a duration of at least 30 minutes.