Teaching GuideTerm Faculty of Science 
Grao en Química 
Subjects 
Physical Chemistry 1 
Contents 



Identifying Data  2020/21  
Subject  Physical Chemistry 1  Code  610G01016  
Study programme 


Descriptors  Cycle  Period  Year  Type  Credits  
Graduate  1st fourmonth period 
Second  Obligatory  6  

Topic  Subtopic 
QUANTUM CHEMISTRY  
1. Postulates of quantum mechanics   Postulate 1: the state of a quantummechanical system is completely specified by its wave function.  Postulate 2: quantummechanical operators represent classical mechanical variables.  Postulate 3: eigenvalue equation.  Postulate 4: average value.  Postulate 5: timedependent Schrödinger equation. 
2. Translational motion: a particle in a box.   A particle in a onedimensional box: wave functions and energy levels.  A particle in two and more dimensions:separation of variables and degeneracy. 
3. Vibrational motion: the harmonic oscillator.   Quantum mechanical model: wave functions and energy levels.  The harmonic oscillator as a model for a vibrating diatomic molecule.  Anharmonicity. 
4. Rotational motion: rigid rotator.   Motion of a particle in a ring.  Wave functions. Spherical harmonics.  Rotational energy: energy levels.  The quantization of angular momentum. 
5. Hydrogenic atoms.   Formulation of the Schrödinger equation.  Atomic orbitals and their energies.  The radial probability distribution function.  The lineal combination of degenerate wavefunctions.  Zeeman effect. 
6. Aproximation methods.   Perturbation theory.  Variational method.  Lineal variational trial functions: secular determinant. 
7. Manyelectron atoms.   Helium atom.  Spin angular moment.  Pauli exclusion principle.  Periodic Table. 
8. Atomic spectroscopy.   Electron configuration of atoms.  Total orbital angular moment: RussellSaunders coupling and jj coupling.  Term symbols. Hund´s rules. Selection rules. 
9. The chemical bond: the hydrogen moleculeion.   The BornOppenheimer approximation.  Molecular orbital theory and valencebond theory.  Molecular orbital treatment of hydrogen moleculeion. 
10. Diatomic molecules.   General considerations for bond formation.  Homonuclear diatomic molecules.  Heteronuclear diatomic molecules. Polar bonds and electronegativity. 
11. Conjugated and aromatic molecules.   Semiempirical methods.  Pielectron approximation.  Free electron molecular orbital theory.  The Hückel approximation. 
STATISTICAL THERMODYNAMICS  
12. Foundations of statistical thermodynamics.   Fundamentals of statistical mechanics.  Basis of statistical thermodynamics.  Statistical thermodynamics of ideal gases.  Statistical interpretation of the thermodynamic properties of solids. 
