2024
Physical Chemistry II
Name: Physical Chemistry II
Code: QUI11971L
6 ECTS
Duration: 15 weeks/156 hours
Scientific Area:
Chemistry
Teaching languages: Portuguese
Languages of tutoring support: Portuguese
Presentation
This course introduces the fundamental concepts of quantum chemistry and chemical kinetics.
Sustainable Development Goals
Learning Goals
Objectives: To introduce the student to the concepts key and the language of the quantum mechanics. To
give the student with principles of the quantum mechanics, that allow its use in simple calculations of
atomic and molecular structure. To introduce the student to the concepts key in kinetic chemistry. To give
the student with techniques to understand the relationship between the mechanisms of complex reactions
and its empirical law of speed. Understanding of simple microscopic theories of the velocity of chemical
reactions.
Competences: Understanding of the principles of the quantum mechanics. Ability of application of these
concepts the simple problems of atomic and molecular structure. Understanding of the concept-base in
kinetic empirical chemistry. Ability of derivation of rates laws for mechanisms of complex reactions.
Understanding of simple microscopical theories of chemical reactions rates.
give the student with principles of the quantum mechanics, that allow its use in simple calculations of
atomic and molecular structure. To introduce the student to the concepts key in kinetic chemistry. To give
the student with techniques to understand the relationship between the mechanisms of complex reactions
and its empirical law of speed. Understanding of simple microscopic theories of the velocity of chemical
reactions.
Competences: Understanding of the principles of the quantum mechanics. Ability of application of these
concepts the simple problems of atomic and molecular structure. Understanding of the concept-base in
kinetic empirical chemistry. Ability of derivation of rates laws for mechanisms of complex reactions.
Understanding of simple microscopical theories of chemical reactions rates.
Contents
The failures of classic mechanics. The origins of the quantum mechanics. The Schrödinger equation and
the information contained in its solutions: average values probabilities. Heisenberg uncertainty principle.
Quantum descriptions of the translaccional motion (particle in the box), vibracional motion (harmónico
oscillator) and rotational motion (circular movement, rotation in a spherical surface). Structure of
hidrogenoid and polielectronic atoms. Molecular structure. Molecular orbitals theory for polyatomic
molecules. Variacional principle. Hückel method. Kinetic empirical chemistry. Elementary and complex
reactions. The stationary state approach. Unimolecular reactions. Enzymatic catalysis. Chain reactions.
Polymerization reactions. The collisions theory and the activated complex theory.
the information contained in its solutions: average values probabilities. Heisenberg uncertainty principle.
Quantum descriptions of the translaccional motion (particle in the box), vibracional motion (harmónico
oscillator) and rotational motion (circular movement, rotation in a spherical surface). Structure of
hidrogenoid and polielectronic atoms. Molecular structure. Molecular orbitals theory for polyatomic
molecules. Variacional principle. Hückel method. Kinetic empirical chemistry. Elementary and complex
reactions. The stationary state approach. Unimolecular reactions. Enzymatic catalysis. Chain reactions.
Polymerization reactions. The collisions theory and the activated complex theory.
Teaching Methods
The teaching / learning is based in the individual work of students, supported by recommended
bibliography and notes taken by the students either during classes or through individual research. In the
lectures the theory will be exposed, commented and discussed with the students. In practical classes, the
subjects developed in the lectures are illustrated with problems of practical examples.
The evaluation is carried out by the realization of 2 tests (one for the first half of the semester and the other
for the second half) and/or one final exam.
bibliography and notes taken by the students either during classes or through individual research. In the
lectures the theory will be exposed, commented and discussed with the students. In practical classes, the
subjects developed in the lectures are illustrated with problems of practical examples.
The evaluation is carried out by the realization of 2 tests (one for the first half of the semester and the other
for the second half) and/or one final exam.
