COURSE CONTENT:
Introductory overview of physical chemisty. Quantity calculus. Wave nature of particles. Uncertainty principle. Postulates of quantum mechanics. Harmonic oscillator. Particle in a box. Hydrogen atom. Atomic orbitals. Spin and manyelectron atoms.
Atomic spectra. Born-Oppenheimer aproximation. Molecular orbitals. Diatomic molecules. Correlation diagram. Hibridization. Hückel molecular orbitals. Elektronic structure of crystals. Ligand field theory. Quantum chemistry in schools.
Molecular spectra. Absorption, emission and scattering. Molecular rotations. Molecular vibrations. IR spectra. Electronic spectra. Lasers. Photoelectron spectra. Magnetic resonance. NMR. Spectroscopy in schools. Properties of gases. Ideal gas and real gases. Kinetic theory of gases. Distribution of molecular velocities and speeds. Collisions. Statistical mechanics. Boltzmann's law.
LEARNING OUTCOMES:
- to explain the experimental facts that were not in accord with the laws of classical physics,
- to state the postulates of quantum mechanics, set the Schrödinger equation for simple systems (particle in a box, harmonic oscillator) and to describe the solutions obtained,
- to describe to procedure for solving the Schrödinger equation for the hydrogen atom and to explain the physical meaning of the solutions obtained,
- to apply the postulates of quantum mechanics to description of molecules, to corroborate the Born-Oppenheimer approximation and to the describe the structure of energy levels in diatomic and polyatomic molecules on a qualitative level,
- to distinguish between the absorption, emission and scattering of electromagnetic radiation and to state which information regarding the molecular structure can be deduced from rotation, vibration and electronic spectra of molecules,
- to calculate the molecular bond length from the corresponding rotation spectra of linear molecules
- to estimate the dissociation energy of diatomic molecules from the corresponding vibration spectra (IR and Raman) and to determine the bond length in certain vibration energy levels from the vibration-rotation transitions
- to apply the Frank-Condon principle in description of electronic spectra of molecules, and to distinguish between the progression and sequence lines in vibronic transitions
- to classify the physical-chemical processes following the absorption of electromagnetic radiation and to distinguish between the mechanisms governing the luminescence (phosphorescence and fluorescence)
- to describe the conditions leading to stimulated emission of radiation and to state the unique properties of laser radiation
- to describe the principles governing the magnetic resonance: NMR (chemical shifts and
nuclear spin coupling) and EPR (nuclear and electron spin coupling)
- to distinguish between the properties of ideal and real gases and to explain how these differences affect the properties of gaseous substances
- to define the distribution of molecular speeds and velocities in gases and to apply these distributions for calculation of physical-chemical properties of ideal gases
- to define the Boltzmann distribution law and apply it for deducing the distribution of molecules among quantum states and the corresponding energy levels
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