DMPO/Cl

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Rizanasalim
Newbie
Posts: 5
Joined: Mon Nov 07, 2022 10:54 pm

DMPO/Cl

Post by Rizanasalim »

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.

DanielKlose
User
Posts: 18
Joined: Thu Jun 09, 2022 5:22 am

Re: DMPO/Cl

Post by DanielKlose »

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.

Rizanasalim
Newbie
Posts: 5
Joined: Mon Nov 07, 2022 10:54 pm

Re: DMPO/Cl

Post by Rizanasalim »

Thank you so much.

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