Zeeman Effect of Nuclear Quadrupole Resonance Spectrum in Cyanuryl Chloride

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A study on the Zeeman effect of Cl³⁵ nuclear quadrupole resonance spectrum was carried out on a single crystal of cyanuryl chloride. Three distinct q-tensors were found in this crystal, two of them being equivalent. The directions of the principal axes were determined within the accuracy of 1°. It was concluded that in the crystal all molecules are disposed parallel (or antiparallel) to one another and three C–Cl bonds of a molecule are on a plane, making an angle 120° with one another, one of them being not equivalent to the other two. A large asymmetry parameter, 0.26, was obtained. From the coupling constant and the asymmetry parameter, the double bond character and the ionic character of C–Cl bonds were estimated to be 10% and 17%, respectively. The large double bond character was considered to be associated with the large electronegativity of nitrogen atoms in the ring.