EPR of manganese-containing plasticine: Spectral simulation and use as an internal standard for comparison of the signal intensities of various free-radical EPR spectra

Electron paramagnetic resonance spectra of manganese-containing plasticine putty have been obtained both at 9.4 and 94.2 GHz (room temperature). It has been possible to analyze both, quantitatively by computer-based simulation and exact diagonalization of a general spin-Hamiltonian, by use of an appropriate powder technique. A fine fit was obtained for both frequencies with an isotropicg-2.00117, uniaxial⁵⁵Mn hyperfine valuesA _∥/g _c β _c = −93.5 G (where ‖ implies direction (ℤ) andA _⊥/g _c β _c = −94.3 G, a nuclear quadrupole effectP _z(⁵⁵Mn)=0, and a uniaxial electronic quadrupole matrix (D/g _c β _c = 3D _Z/2g _c β _c = −82.8 G). The electronic octupole energy was taken into account via the single parameterB ₄⁰/g _c β _c = −0.024 G. The plasticine has been demonstrated to afford a fine intensity and magnetic-field standard, say, for use with free radicals such as spin-trap adducts. Examples provided are 2,2-diphenyl-l-picrylhydrazyl, and hydroxyl radical generated by the Fenton reaction and spin-trapped with 5,5-dimethyl-1-pyroline-N-oxide.