Chemical Structure and Bonding A
Objectives
At the end, students should have acquired knowledge and skills which will allow:
To apply general concepts of quantum mechanics
Predict atomic and molecular properties
Predict Lewis Structures.
Predict electronic structure and molecular geometry through Valence Bond Theory and Molecular Orbital Theory
Predict molecular properties (bond order and distance, paramagnetism, acid/base behavior, nucleofilicity and electrofilicity, ionization energy, electron affinity, etc.)
General characterization
Code
12600
Credits
3.0
Responsible teacher
Maria Madalena Alves de C.S.D. Andrade
Hours
Weekly - 2
Total - 43
Teaching language
Português
Prerequisites
N/A
Bibliography
R. L. Deckock, H. B. Gray, Chemical Structure and Bonding, University Science Books, Sausalito, California,1989
Teaching method
Theoretical classes (2 x 1 hour weekly online), theoretical-practical classes (8 sessions of 1.5 hours each); in 2 of the problem solving sessions a specific software will be used to visualize molecular orbitals.
Evaluation method
The final grade is obtained by the weighted average between the two individual assessment tests (75%) provided that the average rating of the two tests is equal to or greater than 9 values, the group problem solving sessions (12.5%) and the mini-tests performed on the moodle platform (12.5%). The student will be approved if, after this weighted average, he/she obtains a classification ≥ 9.5
The student who does not obtain a classification ≥ 9 in the average of the two individual tests, will be evaluated in a final exam. For students who pass in the final exam (grade ≥ 9.5), the grade obtained in this exam will be the final grade for the course.
Subject matter
Introduction to quantum mechanics: wavelike behaviour; Heisenberg''''s uncertainty principle; Schrödinger''''s equation. Eigenvalues and eigenfunctions. Wavefunction normalization. Particle in a one-dimensional box. Quantic numbers and the box''''s dimensionality. Atomic orbitals and energy levels. Radial distribution function. Angular moments. Polielectronic atoms. Periodic properties. Molecules. Lewis structures. Molecular geometry. Molecular structure: Ionic bonding and crystal lattice energy. Covalent bonding. Valence bond theory. Linear combination of atomic orbitals, Molecular orbital theory. Molecular orbital energy diagrams of diatomic and poliatomic molecules. Chemical reactivity according to the frontier orbital theory. Lewis acids and bases.