Chemical Sciences

PAOLA D'ANGELO

1) Knowledge and ability to understand
The aim of the course is to acquire the basic physical chemistry knowledge about the structure of atomic and molecular systems that is a prerequisites for the understanding of complex chemical systems and spectroscopic techniques. The knowledge acquired during the course is represented by basic quantum mechanics and its application in chemistry.
2) Applied Knowledge and understanding skills
Through the teaching of the elements of quantum mechanics as applied to molecular systems, the course provides students with the conceptual tools to understand how, starting from the behavior of the basic constituents of matter (nuclei and electrons), the language of modern chemistry emerges in terms of atoms, chemical bonds, molecules, aggregates and substances.
3) Autonomy of Judgment
There are several (in class) sessions of exercises aimed at the development of students' critical abilities towards the practical implications of the theory.
4) Communication Skills
The course, apart from the final oral evaluation, includes 2 intermediate self-evaluation tests that allow students to express what they have learned.
5) Learning Ability
The skills acquired are needed to understand how the complex language of modern chemistry, even in its endeless variations, derives from rigorous physical principles.

The teaching of PHYSICAL CHEMISTRY II aims to provide the skills necessary to understand quantum mechanics and its applications. In particular, at the end of the course the student will have acquired basic knowledge of the conventional and more advanced methods of this discipline. The student must demonstrate autonomy in learning, as well as critical judgment on the concepts assimilated. The student is expected to have the ability to frame the problem under examination in the right context, to be able to choose the most suitable models for the study of the proposed systems, demonstrating that they know how to apply the skills acquired.

Knowledge of basic mathematics and physics.

1. Introduction of Quantum Mechanics
2. Fundamentals of quantum mechanics (postulates of quantum mechanics).
3. Particle in a box (eigenvalues ​​and eigenfunctions.
4. The rigid rotator and angular momentum eigenstates (rigid rotator in three dimensions)
5. Harmonic oscillator.
6. The hydrogen atom.
7. The approximate methods (the variation method, perturbation theory).
8. Polyelectronic atoms (Hartree and Hartree-Fock methods, vector model and term symbols).
10. Introduction to the chemical bond - diatomic molecules (the BornOppenheimer approximation, the LCAO-MO method).
11 Introduction to the chemical bond - polyatomic molecules.
12. Introduction to statistical thermidynamics (the Boltzmann factor, statistical configurations and weights, the dominant configuration).
13. The molecular distribution function.
14. Thermodynamic functions (link between these and Q).

- Peter William Atkins, Julio de Paula "Chimica Fisica", Zanichelli.

- Donald A. Mc Quarrie e John D. Simon, “Chimica Fisica. Un approccio molecolare", Zanichelli.

- Walter J. Moore, “Chimica Fisica”, Piccin Nuova Libraria.

- Jun J. Sakurai, “Meccanica Quantistica Moderna”, Zanichelli.

The lessons will be held in presence.

The attendance to the course is not mandatory

The evaluation will be carried out with an oral exam.

Questions on the program