motional effects in biradical nitroxides

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sklabde
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Joined: Wed Jan 12, 2022 11:44 am

motional effects in biradical nitroxides

Post 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.

Matt Krzyaniak
EasySpin Guru
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Joined: Tue Jul 22, 2014 11:01 am
Location: Northwestern University

Re: motional effects in biradical nitroxides

Post 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

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

Re: motional effects in biradical nitroxides

Post by Stefan Stoll »

Agreed.

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