Chemical Structure and Bonding
Code
3683
Academic unit
Faculdade de Ciências e Tecnologia
Department
Departamento de Química
Credits
6.0
Teacher in charge
Maria Madalena Alves de C.S.D. Andrade
Weekly hours
4
Total hours
54
Teaching language
Português
Objectives
The students should acquire introductory knowledge in quantum chemistry and the theories that describe the chemical bonding, in particular the valence bond theory and molecular orbital theory.
The students should be able to predict atomic and molecular properties, and predict the most probable Lewis structures and molecular geometries. They should also be able to predict electronic distributions in molecules, based in valence bond theory and molecular orbital theory, and the consequences of the electronic distribution in the molecular properties (bond distance and order, diamagnetism and paramagnetism, acid base properties, ionization energy and electron affinity, insulating and conducting properties, etc.).
Prerequisites
Atomic structure: the Schrödinger equation. Eigenvalues and eigenfunctions. Wavefunction normalization. Translactional movement. Particle in a one-dimensional box. Hydrogen atom. Atomic orbitals and energy levels. Radial distribution function. Orbital angular moment and spin angular moment. Electronic states and configurations in polielectronic atoms.
Molecular structure: ionic bonding, crystal lattice energy. Covalent bonding. Valence Bond Theory. Linear combination of atomic orbitals, Molecular Orbital Theory. Molecular orbital energy diagrams of poliatomic molecules. Bond in metals, band theory.
Subject matter
Atomic structure: the Schrödinger equation. Eigenvalues and eigenfunctions. Wavefunction normalization. Translactional movement. Particle in a one-dimensional box. Hydrogen atom. Atomic orbitals and energy levels. Radial distribution function. Orbital angular moment and spin angular moment. Electronic states and configurations in polielectronic atoms.
Molecular structure: ionic bonding, crystal lattice energy. Covalent bonding. Valence Bond Theory. Linear combination of atomic orbitals, Molecular Orbital Theory. Molecular orbital energy diagrams of poliatomic molecules. The Frontier_orbital concept . Lewis Acid and Base. Aducts formation. Bond in metals, band theory. Chemistry of s- and p-block elements. Intermolecular forces.*
The conctents in itlaic were not given in 2010/2011 due to the shortening of the theoretical modules.