Search found 7 matches

by MariaM
Mon Feb 20, 2023 2:25 pm
Forum: General forum
Topic: Simulation fits better at lower g-values
Replies: 2
Views: 1746

Re: Simulation fits better at lower g-values

How do I remove the g offset? I corrected for the offset from the literature g-value using DMPO-OH, but it sounds like that wasn't enough. Is it normal for the offset to be more prominent on one side of the spectrum?

by MariaM
Tue Feb 07, 2023 2:43 pm
Forum: General forum
Topic: Simulation fits better at lower g-values
Replies: 2
Views: 1746

Simulation fits better at lower g-values

I collected data for an irradiated suspension of struvite in aqueous DMPO solution and found that it generates OH, OOH, H, and singlet oxygen. I was able to fit it by using a linear combination of "garlic" simulations for the DMPO adducts of those 4 species. Overall, I am satisfied with my...
by MariaM
Wed Oct 19, 2022 2:16 pm
Forum: General forum
Topic: Simulation matches experimental data better at high field
Replies: 0
Views: 13577

Simulation matches experimental data better at high field

I recently collected experimental data of several types of DMPO adducts and oxidation products. I was able to sum several simulations together and match all of the features, but the features line up better with my experimental data at higher field values. Do I need to try a different g-value, or is ...
by MariaM
Tue Sep 20, 2022 3:55 pm
Forum: General forum
Topic: Unidentified DMPO adduct features
Replies: 6
Views: 1944

Re: Unidentified DMPO adduct features

Thank you for taking the time to write this code. I am confused as to how you came up with the parameters for the g-value and the hyperfine splittings. I'm guessing the two sets of two equivalent hydrogen nuclei come from the other positions on the ring? I was hoping to identify specific reactive ox...
by MariaM
Thu Sep 15, 2022 11:48 am
Forum: General forum
Topic: Unidentified DMPO adduct features
Replies: 6
Views: 1944

Re: Unidentified DMPO adduct features

I apologize for posting the incorrect file type. Here is the .spc file

by MariaM
Wed Sep 14, 2022 4:13 pm
Forum: General forum
Topic: Unidentified DMPO adduct features
Replies: 6
Views: 1944

Unidentified DMPO adduct features

I collected an EPR spectrum of photolyzed struvite in the presence of DMPO in water. I expect it to mainly generate reactive oxygen species. I then simulated EPR spectra for several DMPO adducts and oxidation products using the literature hyperfine splitting values from Buettner's 1987 Free Radical ...
by MariaM
Thu Sep 08, 2022 4:24 pm
Forum: General forum
Topic: DMPO-OH g-value variation
Replies: 1
Views: 1290

DMPO-OH g-value variation

I collected an EPR spectrum of DMPO-OH (produced by photolyzing H2O2 in water with DMPO) to practice fitting in Easyspin. I adapted the code from the fitting example on the YouTube channel and used the literature g-value of 2.0062, allowing for a variation of 0.004. I was satisfied with the fit, but...