Assign percentage for different spin state

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kamalu
Newbie
Posts: 2
Joined: Thu Nov 05, 2020 10:57 am

Assign percentage for different spin state

Post by kamalu »

Hello EasySpin fellow,
I have recorded one EPR spectra for a complex, of Fe(III), in the spectra I am able to see two type of signal, for intermediate spin and low spin. I wanted to know how to include in the spin block percentage of the spin (for example 60%, 3/2 and 40%, 1/2). Please suggest if any one has gone through such problem.

Regards,
Kamal

Stefan Stoll
EasySpin Creator
Posts: 1059
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Assign percentage for different spin state

Post by Stefan Stoll »

You can simulate the combined spectrum for the two species and include the weights. Assuming the two spin systems are called Fe1 and Fe2, then

Code: Select all

Fe1.weight = 0.6;
Fe2.weight = 0.4;
[B,spc] = pepper({Fe1,Fe2},Exp,Opt);
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