How to make Energy vs Magnetic Field Diagram?

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How to make Energy vs Magnetic Field Diagram?

Postby iBouncer » Wed Oct 18, 2017 9:53 pm

I want to know how to simulate freq. (Energy) vs magnetic field diagram on EasySpin.
ex. figure 5 of sited below
Magn. Reson. Chem. 2005; 43: S130–S139 DOI: 10.1002/mrc.1689 High-frequency/high-field EPR spectroscopy of the
high-spin ferrous ion in hexaaqua complexes. Joshua Telser, Joris van Slageren, Suriyakan Vongtragool, Martin Dressel, William M. Reiff, S. A. Zvyagin, Andrew Ozarowski and J. Krzystek

This article submitted from MagLab on Tallahassee, FL, so I wonder this diagram maybe made from the result of Ozarowski’s
SpinP.exe program on Windows.

I use Mac for a recent decade, and I would only run Windows 10 on VM Fusion in emergency situation. I don't have
state-of-the-art Windows machine, therefore it’s not effective way to research.

On the other hand, when I was looking for similar technique that running on Mac, I found similar diagram within article.
ex. figures 5 and 6 of sited below

Joscha Nehrkorn, Joshua Telser, Karsten Holldack, Stefan Stoll, Alexander Schnegg
Simulating Frequency-Domain Electron Paramagnetic Resonance: Bridging the Gap between Experiment and Magnetic Parameters for High-Spin Transition Metal Ion Complexes
J. Phys. Chem. B 119(43), 13816-13824 (2015) DOI: 10.1021/acs.jpcb.5b04156 PMID: 26154490

We already have several ESR spectra of Hemin, Tutton’s Salt ...etc. under high pressured (from about 200 GHz upto
500 GHz) like as blue line in Fig.6.
I want to analysis and writing a mode line in my results of ESR. (like as thin line in Fig 5, 6).

Please tell me the way to 1) simulate Freq (Energy) vs Magnetic field diagram, and 2) data extraction method like as
ascii or text files to use in Igor.
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Joined: Wed Oct 18, 2017 9:30 pm

Re: How to make Energy vs Magnetic Field Diagram?

Postby katarkon » Thu Oct 19, 2017 12:25 am

I think the functions levelsand levelsplotshould be appropriate. Also you may see the script levelspot.m from examples\varia folder, it should be helpful for exporting the data.
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