Hi,
I am very new to easyspin and I am trying to simulate an unknown spectra. I would like to know how to go about the DMPO/Cl because I expect chloride radicals. I would really appreciate if someone can help me with the code. Also, I would like to know where to find the hyperfine coupling constants of various DMPO and BMPO radical adducts.
Thank you in advance.
DMPO/Cl
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DMPO/Cl
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Re: DMPO/Cl
Hi!
For the hyperfine coupling constants the standard reference is the NIH spin trapping database:
https://tools.niehs.nih.gov/stdb/index.cfm
For the code: Have you looked through the examples on the EasySpin website? There is, e.g. Fremy's salt or the Biphenyl radical anion. Those should give you good starting points.