93771 - Physical Organic Chemistry

Academic Year 2022/2023

Learning outcomes

At the end of the course, the student will have acquired knowledge regarding the basic qualitative and quantitative tools for the study of the (photo)-reactivity of organic molecules. The student will be capable of predicting the electronic structure, properties and reaction mechanism of organic compounds, as well as of computing the (photo)-chemical reaction paths with state-of-the-art computational methods.

Course contents

The rational is provided for the use and the application of qualitative theoretical models (such as PMO, VB-Configuration Mixing, Correlation Diagrams, etc) to the understanding, modeling and prediction of chemical reactivity in (Photo)Chemistry. The fundamental tools of Computational (Photo)Chemistry are also provided and applied during the laboratory exercises, to solve actual problems of structure and reactivity in Photochemistry, Photobiology and Material Chemistry.

Readings/Bibliography

D.L. Andrews, Lasers in Chemistry, Springer, 3rd edition.

O. Svelto, Principles of Lasers, Plenum Press, 4th edition.

T. H. Lowry & K.S. Richardson, Mechanism and Theory in Organic Chemistry.

R.J. Sundberg & F.A. Carey, Advanced Organic Chemistry.

Scientific papers and other specifically prepared material.

Teaching methods

Slides show in the classroom.

Workstations and software packages are used in the Computational Lab to explore and study reaction mechanisms in (Photo)Chemistry.

All students must attend Module 1, 2 on Health and Safety online:

https://elearning-sicurezza.unibo.it/

https://www.unibo.it/it/servizi-e-opportunita/salute-e-assistenza/salute-e-sicurezza/sicurezza-e-salute-nei-luoghi-di-studio-e-tirocinio

Assessment methods

A single written examination at the end of the semester, with theoretical questions and problems to solve (each one corresponding to a specific maximum score if correctly answered, for a total of 33 points equivalent to a final mark of 30 with Lode). The exam is passed with a minimum score of 18/30.

Teaching tools

Lessons and exercises in the classroom for the theory (3 CFU), and computational exercises in the computational laboratory(2 CFU). Both experimental and computational lab-activities must be described and discussed in a suitable lab-report (written text or slide presentation).

Office hours

See the website of Marco Garavelli

SDGs

Quality education Gender equality Affordable and clean energy Climate Action

This teaching activity contributes to the achievement of the Sustainable Development Goals of the UN 2030 Agenda.