Manganese spectrum in a powdered sample

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anatolewilson
Newbie
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Joined: Mon Jul 22, 2024 9:45 pm

Manganese spectrum in a powdered sample

Post by anatolewilson »

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
EasySpin Creator
Posts: 1085
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Manganese spectrum in a powdered sample

Post by Stefan Stoll »

Including D strain (distribution of D values) with Sys.DStrain will broaden these non-central transitions. See here.

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