ACTA

EPR Spectra of Multispin Systems. Application to Poly-m-p-Aniline

P. Juszyński^a, A. Twardowski^a, J. Gosk^a,b, I. Kulszewicz-Bajer^c, M. Pawłowski^d, K. Dziatkowski^a and J. Szczytko^a
^aInstitute of Experimental Physics, Faculty of Physics, University of Warsaw, Hoża 69, 00-681 Warsaw, Poland
^bFaculty of Physics, Warsaw University of Technology, Koszykowa 75, 00-662 Warsaw, Poland
^cFaculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw, Poland
^dInstitute of Electronic Materials Technology, Wólczyńska 133, 01-919 Warsaw, Poland

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In this communication we present NiceMagnetic, software for simulations and analysis of EPR spectrum and SQUID measurements. Systems of arbitrary number N of spin-only magnetic moments (S ≤ 0 and L = 0) were considered within the lines of the Heisenberg and Zeeman Hamiltonians. Effective algorithms used for the computations are discussed. This includes modified secant method adapted to calculate resonance fields with demanded precision. Finally, application of NiceMagnetic to experimental SQUID magnetization and EPR spectra of poly-m-p-aniline, one of recently synthesized high spin polymers containing unpaired electrons will be presented. As a result, exchange integral between electron and nitrogen nuclei spins (ligand hyperfine interaction) J = 6.3 × 10^-4 cm^-1 was estimated.

DOI: 10.12693/APhysPolA.119.717
PACS numbers: 02.70.-c, 75.10.-b