Contribution of the molecular framework to the static dielectric constant of N-methylphenazinium-tetracyanoquinodimethane (NMP-TCNQ)

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Abstract
The static dielectric constant tensor of the organic charge transfer complex N-methylphenazinium-tetracyanoquinodimethane (NMP-TCNQ) was calculated under the assumption that each electron is strictly localized to within one molecule. Published values of the polarizabilities of the intramolecular bonds were used to compute the electronic contribution, and low-temperature specific-heat data were used to estimate the ionic contribution. The largest principal value of the dielectric tensor so calculated is 1.94, a factor of 100 smaller than the measured value. This suggests that a more accurate model, with delocalized electrons, is necessary.