- Docente: Marco Garavelli
- Credits: 5
- SSD: CHIM/02
- Language: Italian
- Teaching Mode: Traditional lectures
- Campus: Bologna
- Corso: Second cycle degree programme (LM) in Advanced Spectroscopy in Chemistry (cod. 5706)
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 and photochemical reactivity. 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 Chemistry, Photochemistry, Photobiology and Materials Chemistry.
Readings/Bibliography
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
In the classroom: hand written black board and slides show.
Workstations and software packages are used in the Computational Chemistry Lab to explore and study reaction mechanisms in (Photo)Chemistry.
As concerns the teaching methods of this course unit, all students must attend Module 1, 2 [https://www.unibo.it/en/services-and-opportunities/health-and-assistance/health-and-safety/online-course-on-health-and-safety-in-study-and-internship-areas] on Health and Safety online.
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).
Computational lab-activities must be described and discussed in a suitable lab-report (written text)
Office hours
See the website of Marco Garavelli