Simulation of quadrupole disturbed NMR field spectra by using the exact solution of the Hamiltonian: Application to zinc

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Abstract
The NMR signals of 67Zn in polycrystalline zinc metal have been observed at frequencies between 8.8 and 13 MHz. Because of the large quadrupole interaction, the spectra have been recorded by sweeping the magnetic field. In order to evaluate the spectra with high accuracy, we have developed a variational method which is based on the exact solution of the NMR‐Hamiltonian, for calculating the transition fields, the appropriate transition intensities and from those field spectra. From the comparison between the simulated and the experimental spectra of Zn, we evaluated a quadrupole coupling constant e2qQ/h of 12.73 (4) MHz, an isotropic Knight shift Kiso of 0.15 (3)% and an axial one Kax&d of 0.03 (3)%. The results are discussed in comparison with already known data.