Abstract
Solid state high-resolution NMR of 1H and 13C along with 15N is analyzed to investigate the electronic states of the charge transfer salts (DMe-DCNQI)2M, (M=Li, Ag, and Cu). We determined the spin/charge distribution in a DMe-DCNQI molecule of the Li-salt from the Knight shifts at each atom on the molecule. It is found that the obtained charge distribution is similar to the theoretical prediction. The charge density on the DCNQI molecules of the Ag-salt is found to be smaller by 20% than the Li-salt, which could be an origin of differences from the Li-salt. This result is consistent with the first principle calculations (Miyazaki and Terakura, Phys. Rev. B 54, 10452, 1996).
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Mizoguchi, K., Shinohara, Y., Kazama, S. et al. Determination of the π-Charge Distribution of the DMe-DCNQI Molecule in (DMe-DCNQI) 2 M, M=Li, Ag, and Cu. J Low Temp Phys 142, 633–637 (2006). https://doi.org/10.1007/s10909-006-9104-0
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DOI: https://doi.org/10.1007/s10909-006-9104-0