Simulating concentration effects on broadening

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howie
Newbie
Posts: 3
Joined: Sat Nov 09, 2019 4:30 pm

Simulating concentration effects on broadening

Post by howie »

Hello,

I am planning on making a series of a compound with Mn2+ diluted in a diamagnetic matrix. Mn2+ is the only paramagnetic species in this system. I was wondering if there was a way to to simulate the cw X-band spectra of these compounds to see how the lines would be broadened by increasing Mn2+ concentration i.e. fully resolved hyperfine splitting at low Mn2+ concentrations vs single broad peak for high concentrations.

I tried changing the weight parameter and simulating with pepper, but I believe that only changes the intensity of the signal. Any advice is greatly appreciated.
Thank you!

Howie
Stefan Stoll
EasySpin Creator
Posts: 1053
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Simulating concentration effects on broadening

Post by Stefan Stoll »

Unfortunately, it's currently not possible to simulate concentration effects.
Rupertes
Newbie
Posts: 1
Joined: Thu Nov 28, 2019 2:19 am

Re: Simulating concentration effects on broadening

Post by Rupertes »

Is this not possible to implement at this point, Stefan?
Stefan Stoll
EasySpin Creator
Posts: 1053
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Simulating concentration effects on broadening

Post by Stefan Stoll »

It's currently not a priority, unfortunately.
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