Chemical Sciences

ENRICO BODO

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.

Interpretation of the electronic structure of simple atoms and molecules.
Understanding of the mechanisms underlying rotational, vibrational and electronic spectroscopy.
Knowledge of quantum phenomena such as zero-point energy, tunneling and superposition.
Correlation between the molecular structure and the thermodynamics of composite systems.

Basic Math: derivatives, integrals and differential equations. Basic physics.

1. Quantum phenomenology
2. Schroedinger equation
3. Principles of QM and postulates
4. Dirac's notation
5. Harmonic Oscillator
6. Angular momentum
7. Spin
8. H atom
9. He atom and the variational method
10. Many-electrons atoms: Hartree-Fock
11. Molecular systems
12. Statistical mechanics

Lecture notes provided by the teacher. See "elearning" website. https://elearning.uniroma1.it/mod/resource/view.php?id=175627

Traditional classroom with some lessons dedicated to the applications of QM in chemistry.

Non compulsory

Oral exam

Term symbols (atoms and molecules).
Hermitian operators and interpretation of the QM.
Quantum harmonic oscillator and relationship with vibrational spectroscopy.
Rigid rotator (energies) and relationship with rotational spectroscopy.
Hydrogen atom (orbital forms and energies)
Relationship between partition function and free energy.
The Born-Oppenheimer approximation.
The spin and the consequences on the energy levels of atoms.