Deuteron Magnetic Resonance Study of LiOD

Deuteron magnetic resonance is measured on a LiOD single crystal, and deuteron quadrupole coupling is determined at various temperatures from 77° to 683°K. The quadrupole coupling constant at 77°K is 327.0 kc/sec. From a point-charge calculation it is concluded that the deuteron quadrupole coupling is almost entirely intraionic in origin. The value appears to represent a quadrupole coupling for a non-hydrogen-bonded O—D bond. The agreement of the field gradient at D with the force constant of the OH stretching vibration of LiOH is excellent. The temperature dependence of the field gradient can be explained by the OD libration of 330 cm−1, which is somewhat higher than the librational frequencies determined by spectroscopy. No appreciable anharmonicity of the librational oscillation is indicated in the temperature range of observations. The rotational motion of OH− in LiOH is unlikely. The 7Li quadrupole coupling is also determined at room temperature and at 683°K. The quadrupole coupling constant at room temperature is 94.5 kc/sec.