Entry requirements

Chemical Principles I/Basic chemistry, 10 credits, Chemical Principles II, 5 credits and Structure and Function of Chemical Substances, 10 credits or corresponding

Learning outcomes

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

apply the basic principles and concept of quantum mechanics to describe chemical bonding

solve the Schr�dinger equation for simple model systems of relevance within chemistry and physics

describe many-electron atoms with help of 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 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 areas.

calculate different molecular parameters, molecular structure for simpler molecules from their molecular weight, IR, Raman and UV-VIS spectra.

account for the normal mode concept and identify characteristic groups at a polyatomic molecule on the basis of its IR - spectrum.

account for different types of electronic transitions 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 Schr�dinger equation. Tunneling. The probability interpretation. The free electron model and particle in box. Molecular vibrations and 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. Potential surfaces. 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 courses and/or during the course and correspond to 7 cr. 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.