Paramagnetic muonium states in elemental sulfur

Abstract

Zero-point vibrational corrections are calculated by abinitio molecular orbital methods for the energy and the reduced hyperfine tensor of the muonated sulfanyl radical SMu ²Π. Only a small α-isotope effect is found for the reduced isotropic muon–electron hyperfine coupling constant of SMu relative to SH. Interstitial muonium in S₈ is also investigated. The results are discussed in the light of recent observations on muonium in elemental sulfur.