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Physical Chemistry I

Objectives

In this Curricular Unit, Students will:

  • Master basic concepts of quantum mechanics (quantization, Copenhagen interpretation of quantum mechanics).
  • Master calculation tools in quantum mechanics (normalization of the wave function, conceptual models in quantum).
  • Deepen the understanding and analysis of Electronic Spectroscopy (Atomic and Molecular) and Vibrational Spectroscopy (Infrared and Raman).
  • Understand the phenomena of Light Absorption and Emission.
  • Know how to relate the structure of molecules and materials with the experimental results of optical spectroscopy.

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

  • Basic knowledge of Calculus.
  • Good knowledge of General Chemistry.
  • Mastery of Classical Physics.

Bibliography

"Physical Chemistry", Peter Atkins and Julio de Paula, Oxford University Press, 9th edition or later.

Teaching method

  • Online theoretical classes via Zoom
  • Theoretical-practical classes, with problem solving
  • laboratory classes

Evaluation method

  • The frequency of the subject is obtained by performing all practical assignments with positive information (5) (previous preparation is required) and delivering the reports. 
  • Pratical Evaluation:
  1. 70% Reports of the 5 APs, 
  2. 30% Oral Presentation of one AP.
  • Theoretical Evaluation:
  1. Tests (3 tests): minimum  9.5 out of 20 (average value)
  2. Exam

         Final Grade = 0,67 x Theoretical Grade + 0,33 Laboratory Grade

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.