Deuteron Nuclear Magnetic Resonance in Anthracene Crystals

The room-temperature electric quadrupole coupling constants |eQΦzz/h| and asymmetry factors η=(Φxx—Φyy)/Φzz for deuterons in single-crystal anthracene-d10, have been determined. For all deuteron sites |eQΦzz/h| falls in the range 181±3 kc/sec, and η=0.064±0.013. |Φzz| > |Φyy| > |Φxx| are elements of the diagonalized electric-field-gradient tensors at the deuteron sites, with Q the deuteron electric quadrupole moment. Within experimental error, at each site Φzz is along the geometrical C—D bond, and Φyy is normal to the molecule plane.