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Chemical Structure and Bonding

Objectives

At the end of this curricular unit, students should have aquired knowledge and skills which will allow them to:

Apply general concepts of quantum mechanics

Predict atomic and mlecular properties

Predic Lewis Strucutures.

Predict electronic structure and molecular geometry through Valence Bond Theory and Molecular Orbital Theory

Predict molecular properties (bond order and distance, paramagnetism, acid/base behaviour, nucleofilicity and electrofilicity, ioniztion energy, electron afinity, conductor, semi-conductor or insulating properties, etc.)

Use Molecular Orbital Theory to predict and rationalize chemical reactivity in simple molecules.

 

 

General characterization

Code

3683

Credits

6.0

Responsible teacher

António Gil de Oliveira Santos, Maria Madalena Alves de C.S.D. Andrade

Hours

Weekly - 4

Total - 57

Teaching language

Português

Prerequisites

Available soon

Bibliography

R. L. Deckock, H. B. Gray, Chemical Structure and Bonding,  University Science Books, Sausalito, California,1989

Teaching method

The program of Chemical Structure and Bonding is transmitted in Portuguese during 39 hours of theoretic-practical classes (3 hours per week), followed by 19.5 hour of pratical classes (1.5 hours per week) dedicated to the resolution of typical exercises and discussion with the students.

 

  

Evaluation method

 


Subject matter

Atomic structure: Historical revision. Bohr''s model applied to the hydrogen atom. Wavelike behaviour. Heisenberg''s uncertainty principle. Schrödinger''s equation. Eigenvalues and eigenfunctions. Wavefunction normalization. Particle in a one-dimensional box. Quantic numbers and the boxs 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. Formation of aducts. Nucleophiles and electrophiles.