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Physical Chemistry I

Objectives

Basic concepts of quantum mechanics and their application to chemical bond theories, molecular structure, spectroscopy and electrical and magnetic properties of molecules.

General characterization

Code

2212

Credits

6.0

Responsible teacher

César Antonio Tonicha Laia, João Carlos dos Santos Silva e Pereira de Lima

Hours

Weekly - 4

Total - 80

Teaching language

Português

Prerequisites

Available soon

Bibliography

Physical Chemistry, Peter Atkins, Oxford Press,

Chemical Aplications of Group Theory, Albert Cotton, Wiley-Interscience

 Molecular Symmetry and Group Theory, Alan Vincent, Wiley

 Molecular Symmetry and Group Theory Robert L. Carter, John Wiley & Sons 

 

Teaching method

Lectures supported by data show projection of figures/plots/text included either in the documentation supplied directly by the teacher or in the recommended bibliography.

Problem solving sessions

Laboratory sessions w

Evaluation method

The frequency of the UV is obtained through the realization with positive information of all practical work (5) (it is necessary to prepare before) and delivery of the reports.

Practical note:
40% Reports of the 4 APs, 30% Large Report of the 5th AP, 30% Oral Presentation of the 5th AP.

Theoretical note:

By Tests. Minimum score 9.5 (Sum/3)

By Examination The examination will have the three parts relating to the subject of the tests.

Final Note = 0.60 x Theoretical note + 0.40 Practical Note

Subject matter

Origins of Quantum Mechanics

Black Body Radiation and Photoelectric Effect

Wave/Particle Duality

Schrödinger equation. Born''s interpretation of wave function and normalization.

Heisenberg''s Principle of Uncertainty and Postulates of Quantum Mechanics

Applications of quantum mechanics: particle in a box, tunnel effect, vibrational motion. Quantum numbers.

Hydrogen atom structure.

Electronic transitions and transition rules.

Born-Oppenheimer approach.

Huckel''s method. Aromaticity.

Electronic states of molecules and spectroscopy.

Fluorescence and Phosphorescence.

Vibrational Spectroscopy (Infrared and Raman).

Symmetry Elements.

Symmetry Applications in Vibrational Spectroscopy and Electronics.