Zero-Field Splitting Powder Pattern Spin-Spin Coupling

This program calculates the powder pattern EPR spectra of a 2-spin electronic system.

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Archive Version 1.0.1
Published on 18 May 2009 All versions

doi:10.4231/D39P2W57Z cite this

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Abstract

This Program Calculates Powder Pattern EPR Spectra for a Dimeric System of Electronic Spins Si,j= 1/2 to 7/2 Using the Full Spin Hamiltonian.

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DDPOWJEA - v4.5

Credits

Professor Joshua Telser, Roosevelt University - Chicago, IL 60605.

References

(1) Krzystek, J.; Ozarowski, A.; Telser, J. "Multi-frequency, high-field EPR as a powerful tool to accurately determine zero-field splitting in high-spin transition metal coordination complexes"; Coord. Chem. Revs. 2006, 250, 2308-2324. (2) Paramagnetic Resonance of Metallobiomolecules; ACS Symposium Series, vol. 858; J. Telser, Ed.; Washington, DC: American Chemical Society, 2003. (3) Desrochers, P. J.; Telser, J.; Zvyagin, S. A.; Ozarowski, A.; Krzystek, J.; Vicic, D. A. "Electronic Structure of Four-Coordinate C3v Nickel(II) Scorpionate Complexes: Investigation by High-Frequency and -Field Electron Paramagnetic Resonance and Electronic Absorption Spectroscopies"; Inorg. Chem. 2006, 45, 8930-8941.

Cite this work

Researchers should cite this work as follows:

  • Baudilio Tejerina, Joshua Telser (2014), "Zero-Field Splitting Powder Pattern Spin-Spin Coupling," https://nanohub.org/resources/dpowj. (DOI: 10.4231/D39P2W57Z).

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Tags

  1. ENDOR
  2. EPR
  3. ESR
  4. nanoelectronics
  5. NCN Group - Materials Science
  6. NCN@Northwestern Supported
  7. Northwestern University
  8. Simulation
  9. Spectroscopy