How to get Exchange interaction from variable temperature data

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

How to get Exchange interaction from variable temperature data

Post by kamalu »

Dear all,
I have one complex with three spin centers? I have collected variable-temperature data, is it possible to simulate together all the data, in order to determine the exchange interaction?

EPR data indicates that it is originating from the exchange-coupled state.

Thanking
Kamal

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

Re: How to get Exchange interaction from variable temperature data

Post by Stefan Stoll »

In order to fit multiple spectra at once, concatenate all the experimental spectra and then write a esfit to write a custom simulation function that simulates all spectra (also concatenated). See the user guide on esfit here.

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