Determination of the14N electric field gradient tensor in the nitro group: A single crystal nuclear double resonance study ofphyphen;nitrotoluene

摘要

The14N electric field gradient tensor in single crystallinephyphen;nitrotoluene has been determined at room temperature via protonndash;nitrogen double resonance in the rotating frame. The major principal (Z) axis of the tensor lies along the Cndash;N bond axis. The quadrupole coupling constant (1340 kHz) and asymmetry parameter (0.408) determined from analysis of the rotation patterns are in excellent agreement with the values measured in a zero field double resonance experiment on powderedphyphen;nitrotoluene.