Entry requirements

Chemical Principles I/Basic chemistry, 10 credits or The Basic Principles of Chemistry, 15 credits, as well as Mathematics 15 credits or equivalent. Linear Algebra is recommended.

Learning outcomes

On completion of the course the student shall be able to:

• account for the basic principles and concepts of quantum mechanics
• solve the Schrödinger equation for model systems of relevance within chemistry and physics
• describe many-electron atoms with the independent particle model
• describe the structure of the periodic system and the connections between the properties of the elements and their electron configurations
• describe the chemical bonding quantum mechanically with molecular orbital theory
• describe the bases behind interaction between light and matter and account for the most common spectroscopic methods and their possibilities and limitations for studies of molecules in the IR and UV/Vis MW, IR and UV-Vis areas
• calculate different molecular parameters for simple molecules from their MW, IR, Raman and UV-Vis spectra
• account for how spectroscopic methods can be used to determine molecular structures, with focus on the identification of characteristic groups in polyatomic molecules on the basis of their IR and UV-Vis spectra
• account for different types of electronic transitions and de-excitation process and interpret absorption and fluorescence spectra
• use UV-Vis absorption and emission spectrometers and be able to account for their function

Content

Quantum mechanics' relevance within chemistry. The Schrödinger equation. The probability interpretation. Particle in box. The harmonic oscillator. Rotation spectra and angular momentum. Spin and the periodic system. The hydrogen atom and atomic orbitals. Many-electron atoms. The Hartree-Fock method. The Born-Oppenheimer approximation. Molecular orbitals. Absorption and emission of radiation. Black body radiation. Rotation -, vibration and Raman spectroscopy. The normal mode concept. Electronic transitions and the Franck-Condon principle. Transition probability. De-excitation pathways. Fluorescence and phosphorescence. Function of the spectrometer. Function of the laser.

Instruction

Lectures, problem solving sessions and laboratory work.

Assessment

Written examinations are organised at the end of the course and/or during the course and correspond to 7 credits. The laboratory sessions correspond to 3 credits. To pass final grades it is required that all parts have been assessed passed. The final grade corresponds to a joining of the results of the written examination and the laboratory sessions.