EPR absorption spectra

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komijani
Newbie
Posts: 3
Joined: Wed May 27, 2015 12:19 pm

EPR absorption spectra

Post by komijani »

I am trying to simulate a coupled spin system:
Sys.S = [6 1/2];
Sys.g = [1.5 1.5 1.5; 2 2 2];
Sys.B2 = [0 0 -1000000 0 0; 0 0 0 0 0];
Sys.ee =-3500; % MHz

When I tried simulating the powder spectra I noticed that upon rotating the field, the transition changes from [1 2] to [1 3] and there is a dip right at the field position where this happens (please see attached). I am not quiet sure if this is real and if it is not real, how I can fix the problem.

Thanks
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Stefan Stoll
EasySpin Creator
Posts: 1041
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: EPR absorption spectra

Post by Stefan Stoll »

All is correct here. At that particular orientation, there is a level anticrossing, and the states 2 and 3 exchange their character.
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