Introduction




For symmetrical molecules the application of group theory has proven to be very helpful. Examples where group theory can be applied successfully are molecular orbital theory, molecular spectroscopy, multipole expansions and ligand field theory. In general, group theoretical results can be used as classification scheme and/or to simplify numerical calculations. There are many books available which give an introduction to group theory and its applications to chemistry.

This WWW project gives a collection of character tables for chemically important point groups. Furthermore reducible representations can be reduced to irreducible representations. In case of molecular 3N representations and molecular vibrational representations the symmetry properties of the force constants up to the quartic force field are determined.

All character tables were taken from the books of Cotton, Salthouse/Ware and Altmann/Herzig (that is probably the most extensive collection of point group tables and properties, an excellent book). Emails with suggestions or comments are welcome, I will try to answer them.




Character tables for chemically important point groups Computational Laboratory for Analysis, Modeling and Visualization Jacobs University Bremen

Last update July, 21th 2008 by A. Gelessus