Theoretical study on the characterization of the muonium radical in sulfurusing S-33 hyperfine interactions

Configuration interaction molecular orbital calculations (CISD) are used to calculate the S-33(I = 3/2) hyperfine interaction in the muonated sulfanyl radical SMu. After allowance far minor zero-point vibrational effects, it is found that an ALC spectrum far a S-33 enriched sulfur sample should show a resonance at an applied longitudinal field of around 1 T if an SMu radic al forms. Alternately, for a muonium bridged S-S bond, a UHF calculation su ggests that resonances should occur at applied fields of 0.32 and 0.50 T fo r S-33 nuclei at the bridging sites. Copyright (C) 2000 John Wiley & Sons, Ltd.