FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master Program Molecular Sciences and Simulation
title of module
Module 5: Concepts of Molecular Chemistry 1
credit points
5
available in semester(s)
hours per week
3
compact course
1
lecturer(s)
W. Sander; A.-V. Mudring, R. Schmid
teaching methods
lecture: 2 hours per week
exercises: 1 hour per week
evaluation of learning
progress
active participation during lectures,homework corrected
by teaching assistant, interactive presentation of
homework during exercises
mode of examination
2-hour end-of-term written exam
learning objectives
Students acquire basic knowledge on the qualitative
determination and interpretation of the electronic
structure of organic and inorganic molecular compounds
and systems of higher dimensionality. They learn how to
relate certain materials properties to the electronic
structure.
soft skills
interactive presentation in front of an audience,
notetaking during lectures, independent postpreparation study of module contents and reading of the
relevant literature
contents of module
Connection between electronic structure of molecules
and their structure and reactivity.
Interpretation of (qualitative) electronic structure
Qualitative electronic structure of molecular organic
compounds:
- aromatic systems
- pericyclic reactions
- correlation of molecular orbitals and Perturbational
Molecular Orbital (PMO) theory
- Benson additivity rules
- correlation of electronic states
- linear free energy relationships
Qualitative electronic structure of inorganic molecules:
- molecular main group compounds
- hypervalence
- cluster compounds
- transition metal compounds
- ligand field and Angular Overlap Model (AOM) theory
- Molecular orbital (MO) description of complex
compounds
- metal-to-metal bonds
- MO analysis of 1D (molecular), 2D(layered compounds
and surfaces) and 3D (extended solids) systems