rastow / esr_plot

Visualize ESR data with PGFPlots & TikZ.

esr_plot

Visualize ESR data with PGFPlots & TikZ.

Compilation

Compile the document main.tex with XeLaTeX using MikTeX. When visualizing many line plots it may be necessary to expand the main memory size with the additional compiler argument --extra-mem-top=100000000.

Experimental & Simulated Data

This work contains example ESR data acquired during a practical as well as data simulated with the MatLab software package EasySpin. Both are located in the directory data. Complementary kinetic EPR data can be found in the repository kepr_plot.

• esr_daten-1_attenuation.txt: 100ug DPPH radical in 0.5ml toluene with variation of the microwave attenuation (3dB, 7dB, 12dB, 17dB, 23dB, 30dB).
• esr_daten-1_modulation.txt: 100ug DPPH radical in 0.5ml toluene with variation of the modulation amplitude (0.005mT, 0.02mT, 0.1mT, 0.3mT, 0.5mT, 0.7mT).
• esr_daten-1_simulation.txt: Simulation of the ESR spectra of DPPH with linewidth 1mT and 0.1mT using the garlic function from EasySpin.
• esr_daten-2.txt: Aqueous manganese(II)sulfate solution.
• esr_daten-3.txt: Copper(II)chloride and copper(II)sulfate powder spectra.
• esr_daten-3_simulation.txt: Simulation of resolved rhombic and axial copper(II) powder spectra with arbitrary hyperfine couplings using the pepper function from EasySpin.
• esr_daten-4.txt: 100ug galvinoxyl radical in 1ml toluene (aerated, degassed with nitrogen).
• esr_daten-4_simulation.txt: Simulation of the ESR spectra of the galvinoxyl radical using the garlic function from EasySpin.
• esr_daten-5.txt: TEMPO radical in toluene, various concentrations (175mM, 125mM, 83mM, 50mM, 25mM, 10mM, 5mM, 1mM, 0.25mM).
• esr_daten-5_simulation.txt: Simulation of the ESR spectra of the galvinoxyl radical using the garlic function from EasySpin.
• esr_daten-6_sepr.txt: tert-Butylperoxyl radical generated through UV-irradiation of 10uL 2,2,4,4-tetramethyl-3-pentanone (5.79M) in 90uL tert-butylbenzene.
• esr_daten-7_sepr.txt: Stannyloxy nitroxide generated through two reaction pathways:
  • Pathway 1: 7uL 0.921M 2-methyl-2-nitropropane solution (12.9mM) and 63uL bis(tributyltin) (0.249M) in 430uL tert-butylbenzene.
  • Pathway 2: 7uL 0.921M 2-methyl-2-nitropropane (12.9mM), 33uL tributyltinhydride (0.247M) and 10 uL di-tert-butylperoxide (0.109M) in 450uL tert-butylbenzene.

Further Reading

• Stoll, S.; Schweiger, A. EasySpin, a comprehensive software package for spectral simu- lation and analysis in EPR. Journal of Magnetic Resonance 2006, 178, 42–55, DOI: 10.1016/j.jmr.2005.08.013.

License

This work may be distributed and/or modified under the conditions of the LaTeX Project Public License. This work has the LPPL maintenance status `maintained'.