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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

Maria Madalena Alves de C.S.D. Andrade

Hours

Weekly - 3

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.

 Online sessions will be scheduled with foreigner students.

  

Evaluation method

 

Overall evaluation of the Course:

Throughout the semester students will perform 6 mini-tests in the moodle to evaluate the concepts given in the theoretical classes, 3 problem solving mini-tests in moodle and 2 (two) partial theoretical tests. The final classification (overall score) will be the weighted average:

6 theoretical mini-tests in moodle - 10%

3 mini-tests in the problem moodle - 15%

2 partial theoretical tests - 75%

Students who obtain at least 9.50 points in the overall grade are considered immediately approved to the Curricular Unit.

Exam:

Due to the pandemic situation, this exam will be performed online, with a camera and sound turned ON. The teacher reserves the decision to submit students with approval or with an improved grade to a mandatory oral exam for grade confirmation.

Approval: Students who have not obtained an overall grade equal to or higher than 9.50 values ​​during the continuous assessment, will have access to a single exam period. Only students who obtain at least 9.50 values ​​in the exam will be approved. The grade obtained in the exam will correspond to the overall grade in the UC.

Grade Improvement: The final grade will be the highest one between that obtained in the continuous assessment and the exam grade. In the academic year 2020-2021, it is possible to realize, in the exam, only a part of the exam corresponding to part I (contents of the first test) or part II (contents of the second test). The exam grade will be the average between the grade obtained in the part made in exam and the part made in the 1st / 2nd test.

 

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.