Simulate epr spectrum of gaseous oxygen

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Macgomes
Newbie
Posts: 9
Joined: Sat Apr 20, 2019 1:12 am

Simulate epr spectrum of gaseous oxygen

Post by Macgomes »

Hello everyone,,
Is it posible simulate O2 gas phase X-band EPR spectrum by EasySpin?
showbox.bio/ tutuapp.uno/ vidmate.vet/
like this (Electron paramagnetic resonance : elementary theory and practical applications. –– 2nd ed.John A. Weil, James R. Bolton.)
FIGURE 7.2 Portion (0.3–1.6) of a simulated field-swept EPR spectrum (9.14456 GHz) of gaseous dioxygen at 100 K (0.1 torr), with limit N<15.
Selected line positions and relevant quantum numbers are given in Table 7.1. [Spectrum produced by Dr. S. Stoll, ETH,Zu¨rich; unpublished data.
The parameters were taken from Ref. 15.(DOI:http://dx.doi.org/10.5169/seals-114405)

I want to use epr spectrum of gaseous oxygen as a field standart/markers in the range 0.7-1.3T.
Stefan Stoll
EasySpin Creator
Posts: 1108
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Simulate epr spectrum of gaseous oxygen

Post by Stefan Stoll »

EasySpin can't do that, but here are the scripts that I used to simulate the spectrum for John Weil's book.
Attachments
diox.zip
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