Physical Chemistry I


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





Responsible teacher

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


Weekly - 4

Total - 80

Teaching language



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


"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.