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66689 - Physical Chemistry II and Laboratory

Academic Year 2021/2022

                
                        Docente:
                        Elisabetta Venuti
                    
                        Credits:
                        12
                    
                        SSD:
                        CHIM/02
                    
                        Language:
                        Italian
                    
                        Moduli:
                        
                            Elisabetta Venuti
                            (Modulo 1)
                        
                            Artur Nenov
                            (Modulo 2)
                        
                            Alberto Arcioni
                            (Modulo 3)
                        
                        Teaching Mode:
                        
                                    Traditional lectures (Modulo 1)
                                
                                    Traditional lectures (Modulo 2)
                                
                                    Traditional lectures (Modulo 3)
                                
                            Campus:
                            Bologna
                        
                            Corso:
                            First cycle degree programme (L) in
                            Industrial Chemistry (cod. 8513)

                            Teaching resources on Virtuale

Learning outcomes

The course covers the basic principles of Quantum Mechanics, and their applications to molecular systems.

Course contents

Prerequisites

To follow the course one must have assimilated the following teachings:

General Chemistry
Mathematics
Physics

Course contents

This course covers the following topics: Historical development of quantum theory. The postulates of Quantum Mechanics. Properties of particles and waves, wave mechanics and applications to simple systems: the particle in a box, the harmonic oscillator, the rigid rotor and the hydrogen atom. Atomic structure and the Periodic Table.
Molecular structure and geometry. Separation between nuclear and electronic motion. Molecular orbitals and the Hartree-Fock method (HF-SCF). The LCAO approximation and atomic basis sets. Computation of molecular properties. Applications to chemistry. Spectroscopy.

Readings/Bibliography

Lecture notes (in Italian), required and sufficient for the course.

For those who want to learn more:

1) D.A. McQuarrie and J.D. Simon, "Physical Chemistry: A Molecular Approach", University Science Book
2) A. Atkins and R.S. Friedman, "Molecular Quantum Mechanics", Oxford University Press

Teaching methods

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] online, while Module 3 on health and safety is to be attended in class. Information about Module 3 attendance schedule is available on the website of your degree programme

Lectures, exercises, and practicals

Assessment methods

Written test and oral exam.

Teaching tools

1) On line lecture notes (in Italian).
2) On line supplementary material.
3) Linux hosts with several programs for computational chemistry

Office hours

See the website of Elisabetta Venuti

See the website of Artur Nenov

See the website of Alberto Arcioni