SOPHE Computation on Alanine Single Crystal EPR Spectra
Abstract: Simulation of X-band
first-derivative continuous-wave electron paramagnetic resonance (CW-EPR)
experimental spectra of -irradiated ℓ-α-alanine single crystal
has been carried out. The aim was to confirm the existence of radical induced
by irradiation in the system. A SOPHE computer simulation software suite (v.
1.1.3) was utilized for that purpose. Six different X-band spectra
measured from a number of defined crystal orientations to the external magnetic
field B were recorded and simulated. The “axial” spectra (refer to the
simulated spectra when the external B field was parallel to the crystal axes
and that was measured at room temperature) confirm the simultaneous presence of
the SAR, R2 and R3 radicals with the appropriate proportions. The “planar”
spectra (refer to the simulated spectra when the B field was on the crystal
planes), however, do not exactly fit to the experimental spectra. Together with
the simulation outcomes, the problems that appear during the work, as well as
the solutions proposed to overcome those problems are discussed.
Penulis: Frida U Ermawati
Kode Jurnal: jpfisikadd110133
