Abstract
Chlorine nuclear resonance data for KCuCl3 have been used to show that no magnetic ordering occurs above 1.3°K, and that a low-lying excited state of the dimer Cu2Cl6= exists with ΔE / k ≈ 32°K if the ground state is a triplet or ΔE / k ≈ 48°K for a singlet ground state. The chlorine nuclear quadrupole coupling tensors have been determined at each of the three chemically inequivalent chlorine sites in Cu2Cl6=. A model which includes both ionic and covalent contributions to the quadrupole coupling tensor was used to explain the data and to estimate the charge distribution in the dimer. Observation of an EPR spectrum with g = 2.157 at 1.35°K and of the increase in the EPR intensity at 77°K compared to that at 300°K are evidence that the ground state of Cu2Cl6= is a triplet.
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