PHYSICAL CHEMISTRY II WITH EXERCISES
Academic year and teacher
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- Versione italiana
- Academic year
- 2022/2023
- Teacher
- CELESTINO ANGELI
- Credits
- 8
- Didactic period
- Primo Semestre
- SSD
- CHIM/02
Training objectives
- Knowledge and understanding.
The aim of the course is to provide the basics for the understanding of atomic and molecular structure. Starting from the key ideas of Quantum Mechanics and going through the survey of simple and meaningful soluble cases, the course deals with the atomic orbitals in hydrogen-like atoms and their generalizations in multielectron atoms. After introducing the concept of molecular orbital, the nature of the chemical bond is analyzed in simple and polyatomic molecules. The use of symmetry in the study of the electronic structure of molecules is stressed. Approximate (semiempirical) methods are introduced for the study of large molecules.
Ability to apply knowledge and understanding
At the conclusion of the course the student will be able: a) to know how to apply the fundamental principles of Quantum Mechanics to simple solvable cases; b) to discuss the form and properties of the orbitals of the hydrogenoid atom as well as of multielectron atoms; c) to know how to analyze the nature of the chemical bond both in diatomic and polyatomic molecules from the view point of the Valence Bond as well as of the Molecular Orbital theories; d) to know the fundamental aspects of rotational and vibrational transitions of molecules; e) to recognize the symmetries of molecules and to discuss the implications of symmetry as to the molecular properties; f) to know how to deal with important molecular properties such as aromaticity in the light of simple semiempirical theories. Prerequisites
- Knowledge of basic mathematical and physical disciplines.
Course programme
- The origin of Quantum Mechanics. The wavefunction and its probabilistic interpretation. Some soluble cases: the particle in a box, a particle against a potential step or barrier (tunnel effect), the harmonic oscillator, the rigid rotator. The hydrogen-like atom: the energy quantization and the description of the orbitals. Approximation methods: first order perturbation theory, the variational method both in its non-linear and linear form (secular equation). Multielectronic atoms: the antisymmetry principle and the Slater determinants, the classifications of the atomic terms, the introduction of the spin-orbit interaction. Molecules and the chemical bond: the Born-Oppenheimer approximation, the hydrogen molecule dealt with in the valence bond approach and with the molecular orbital method. Homo- and heteronuclear diatomic molecules. Polyatomic molecules and the theory of molecular orbitals. Group theory and the symmetry classification of molecular orbitals. Conjugated and aromatic hydrocarbons: Huckel's semiempirical method.
Didactic methods
- The course is based on theoretical frontal lectures with a periodic alternation of lectures with exercises carried out at the blackboard by the teacher and by the students.
Learning assessment procedures
- The learning check is based on an oral exam in which the subjects of the course are discussed and commented. In order to access the oral exam, it is required to have passed in advance a written exam (even in a different session) based on one or two open questions and on a few numerical exercises.
The written exam can be skipped if the student has passed the two partial written examinations which occur during the course (one at the middle and one at the end). Reference texts
- D.McQuarrie, J. Simon, "Physical Chemistry, a molecular approach", University Science Books (Ed. Italiana Zanichelli)
Course notes provided by the teacher (pdf file).
