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motional effects in biradical nitroxides

Posted: Wed Jan 12, 2022 11:48 am
by sklabde

We are seeing some temperature dependent motional effects in a liquid-state biradical nitroxide radical system, showing a transition from a three-peak to a five-peak system. It is mentioned in the article by Eaton et al. (doi: 10.1002/cmr.a.21426) that the software called 'dynbir' can be implemented in Easyspin. Could you please give a hint how to proceed or else, if there is an alternative way to conduct the simulation of dynamic effects of this kin in Easyspin?

For the simple three peak and five peak system I used chili with different J values but in the case of motional effects it doesn't work.


Re: motional effects in biradical nitroxides

Posted: Fri Jan 14, 2022 10:07 am
by Matt Krzyaniak

A brief glance at the related paper and it seems like you could use the programs for chemical exchange, refer to: viewtopic.php?f=8&t=309


Re: motional effects in biradical nitroxides

Posted: Fri Jan 14, 2022 11:45 am
by Stefan Stoll

Agreed.