Tanabe-Sugano diagrams via spreadsheets

A set of spreadsheets has been developed to aid in spectral interpretation.

Alternatively a single ZIP file containing all of the above spreadsheets can be downloaded.

See the instructions for more information.

Originally only the spin-allowed transition energies were calculated. Since then Horst Stratemeier generously provided info on how the data points used to create the diagrams in the Ligand Field Theory text by Figgis and Hitchman were generated. A set of runs was then done using CAMMAG and a small script was written to manipulate the output data into spreadsheets to give the Tanabe-Sugano diagrams that now contain both spin-allowed and spin-forbidden lines.

Procedure for a Cr(III) system using the d3 diagram

A laboratory experiment based on this is described in more detail in the CHEM2110 lab manual. An interactive web page can be used to do this more easily since a TS applet has been created to display the d3 diagram and this is fed information from the spectral display using JSpecView, Jmol and JavaScripts.

References

1. Ligand Field Theory and its applications, B.N. Figgis and M.A. Hitchman, Wiley-VCH, New York, 2000.
2. Cruse, D. A., Davies, J. E., Harding, J. H., Gerloch, M., Mackey, D. J., McMeeking, R. F., CAMMAG, a Fortran Program (1980), Cambridge.

Copyright © 2016 by Robert John Lancashire, all rights reserved.

Created and maintained by Prof. Robert J. Lancashire,
The Department of Chemistry, University of the West Indies,
Mona Campus, Kingston 7, Jamaica.
Created Feb 1999. Links checked and/or last modified 20th July 2016.
URL http://wwwchem.uwimona.edu.jm/courses/Tanabe-Sugano/TSspread.html