High-accuracy approximations of the bound-state energies of the Hulthen potential are obtained by means of algebraic perturbation calculations which are based upon the dynamical-group structure SO(2, 1).
The ESR spectrum of X-irradiated carbonated apatites synthesized at low temperature was studied as a function of their carbonate content. Using 13C-enriched samples, four different carbonate-derived radicals and a surface O- ion could be identified. Isotropic CO3- and CO2- ions are present at a B site in the apatite lattice, and anisotropic CO3- and CO2- radicals are located at the surface of the crystallites. Only the isotropic ESR signals increase with increasing carbonate content. The anisotropic signal ascribed to a surface CO2- radical is mainly responsible for the so-called asymmetric ESR signal near g = 2. It is argued that this surface signal may still be composite and caused by several very similar CO2- ions. The consequences for phenomenological ESR studies of calcified tissues are discussed.
Beta-D-fructose single crystals were in situ X-irradiated at 80 K and measured using electron paramagnetic resonance (EPR), electron nuclear double resonance (ENDOR) and ENDOR-induced EPR (EIE) techniques at Q-band (34 GHz) microwave frequencies. The measurements revealed the presence of at least four carbon-centered radicals stable at 80 K. By means of ENDOR angular variations in the three principal crystallographic planes, six proton hyperfine coupling tensors could be determined and were assigned to four different radicals by the aid of EIE. Two of the radicals exhibit only beta-proton hyperfine couplings and reveal almost identical EIE spectra. For the other two radicals, the major hyperfine splitting originates from a single alpha-proton hyperfine coupling and their EIE spectra were also quite similar. The similarity of the EIE spectra and hyperfine tensors led to the assumption that there are only two essentially different radical structures. The radical exhibiting only beta-proton hyperfine couplings was assigned to a C3 centered radical arising from H3 abstraction and the other radical suggested to be an open-ring species with a disrupted C2-C3 bond and a double C2-O2 bond. A possible formation mechanism for the latter open-ring radical is presented. By means of cluster density functional theory (DFT) calculations, the structures of the two radicals were determined and a fairly good agreement between the calculated and experimental hyperfine tensors was found.
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