Deuteron Magnetic Resonance of the Solid Phases of Deuterium Sulfide

The deuteron magnetic resonance of D2S was examined from 77°K to above the liquid–solid transition at 187°K. In solid III of polycrystalline D2S, e2qQ / h = 142 ± 9 kHz and η ≈ 0.1 independent of temperature. Solid II yields e2qQ / h = 88 ± 4kHz and η = 0.30 ± 0.01. In solid I a very sharp deuteron resonance line is observed for which spin–lattice relaxation times (T1) have been determined. For solid III, the lattice is rigid and e2qQ / h is 91% of the gas-phase value. Solid II is characterized by orientations of the S–D bonds by an approximately 90° flip motion with concomitant change of the direction of the bisectrix of the DSD angle and the direction of the D–D vector. This result is consistent with the previously observed dielectric constant and proton second moments in this phase. In solid I the averaging of the quadrupolar splitting is complete and the molecular reorientation is isotropic with a rotational correlation time (τ2) of 4 × 10−13 sec just above the solid II–I phase transition (133°K). Previous proton resonance measurements are interpreted in terms of presently available data on the solid phases of hydrogen sulfide.