Manganese spectrum in a powdered sample

[Roberto Franco]

I am trying to simulate a spectrum of Mn(II) in a powdered sample. Mn (II) has 30 transitions (5 sextets) and only the main sextet (Ms 1/2 <-> -1/2) is orientation-independent and therefore has narrow lines. The other 4 sextets have wide lines and therefore small intensities. However, these 4 sextets have the same linewidth as the main sextet in the simulated spectrum. Is it possible to increase the linewidths of these 4 sextets so that the simulated spectrum becomes more similar to the experimental spectrum?
Thanks in advance for your help.

[Stefan Stoll]

The non-central transitions have wider linewidths, since the zero-field splitting is not the same for every Mn center in your sample. You can model a Gaussian distribution of zero-field splitting parameters using Sys.DStrain. See the documentation on line broadenings.