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Wigner crystal model for the radical ions of tetracyanoquinodimethane salts

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Literature cited

  1. I. F. Shchegolev, “Electric and magnetic properties of organic semiconductors,” Phys. Status Solidi (a), 2, No. 1, 9–45 (1972).

    Google Scholar 

  2. A. J. Heeger and A. F. Carito, “The electronic properties of TTF-TCNQ,” in: Low-Dimensional Cooperative Phenomena (ed. by H. J. Keller), Plenum, New York (1975), pp. 89–123.

    Google Scholar 

  3. I. I. Ukrainskii, Coulombic Interactions in Donor-Acceptor Molecular Crystals, Preprint ITF-74-156R, Kiev (1975), p. 10.

  4. R. M. Metzger and A. N. Bloch, “Crystal Coulomb energies. VII. The electrostatic binding energy defect in tetrathiofulvalinium 7,7,8,8-tetracyanoquinodimethanide,” J. Chem. Phys., 63, No. 12, 5098–5107 (1975).

    Google Scholar 

  5. A. J. Epstein, N. O. Lipari, D. J. Sandman, and P. Nielsen, “Electrostatic interactions in TTF-TCNQ: Madelung energy and near-neighbor interactions,” Phys. Rev., B13, No. 4, 1569–1579 (1976).

    Google Scholar 

  6. J. B. Torrance and B. D. Silverman, “Charge transfer and ionic bonding in organic solids with segregated stacks,” Phys. Rev., B15, No. 2, 788–801 (1977).

    Google Scholar 

  7. V. E. Klimenko, V. Ya. Krivnov, A. A. Ovchinnikov, I. I. Ukrainskii, and A. F. Shvets, “Charge state of donor-acceptor quasi-one-dimensional systems,” Zh. Eksp. Teor. Fiz., 49, No. 7, 240–249 (1975).

    Google Scholar 

  8. V. Ya. Krivnov and A. A. Ovchinnikov, “Paramagnetism of highly conductive TTF-TCNQ crystals,” Pis'ma Zh. Eksp. Teor. Fiz., 21, No. 12, 696–700 (1975).

    Google Scholar 

  9. P. P. Ewald, “Die Berechnung optischer und elektrostatische Gitterpotentiale,” Ann. Phys., 64, 253–287 (1921).

    Google Scholar 

  10. D. A. Lowitz, “Pople-like SCF-LCAO-MO treatment of 7,7′,8,8′-tetracyanoquinodimethane,” J. Chem. Phys., 46, No. 12, 4698–4717 (1967).

    Google Scholar 

  11. A. Bieber and J. J. Andre, “Some electronic properties of TMPD, CA, and TCNQ molecules and their mono- and diions,” Chem. Phys., 5, 166–182 (1974).

    Google Scholar 

  12. Yu. I. Gorlov and I. I. Ukrainskii, Calculation of the Equilibrium Geometry of Large Molecules and Radicals, Preprint ITF-75-1R, Kiev (1975), p. 18.

  13. A. Hoekstra, T. Spoelder, and A. Vos, “The crystal structure of rubidium 7,7,8,8-tetracyanoquinodi-methane, Rb-TCNQ, at-160‡C,” Acta Crystallogr., B28, No. 1, 14–25 (1972).

    Google Scholar 

  14. Chemist's Handbook [in Russian], Vol. 1, Khimiya, Moscow-Leningrad (1966), pp. 325–332.

  15. C. E. Klots, R. N. Compton, and V. F. Raaen, “Electronic and ionic properties of molecular TTF and TCNQ,” J. Chem. Phys., 60, No. 3, 1177–1178 (1974).

    Google Scholar 

  16. V. A. Kuprievich and V. E. Klimenko, Complex of Programs for Molecular Calculations. I. Programs for SCF Calculations in the One- and Multiconfiguration Approximation, Preprint ITF-77-55R, Kiev (1977), p. 24.

  17. V. E. Klimenko and I. I. Ukrainskii, Study of Polarization Effects in NMP-TCNQ Crystals, Preprint ITF-77-15R, Kiev (1977), p. 14.

  18. C. J. Fritchie, “The crystal structure of N-methylphenazinium tetracyanoquinodimethanide,” Acta Crystallogr., 20, 892–898 (1966).

    Google Scholar 

  19. K. Yoshikawa, M. Hashimoto, and I. Morishima, “Photoelectron spectroscopic study of cyclic amines. The relation between ionization potentials, basicities and s-character of the nitrogen lone pair electrons,” J. Am. Chem. Soc., 96, No. 1, 288–289 (1974).

    Google Scholar 

  20. R. M. Metzger, “Crystal Coulomb energies. III. The electrostatic binding energy of N-methylphenazinium 7,7′,8,8′-tetracyanoqumodimethanide by Ewald's method,” J. Chem. Phys., 57, No. 5, 2218–2219 (1972).

    Google Scholar 

  21. V. A. Benderskii, “Charge-transfer states in organic systems. 2. Transfer excitons and conduction electrons in molecular crystals,” Zh. Strukt. Khim., 4, No. 3, 415–423 (1963).

    Google Scholar 

  22. L. I. Buravov, D. N. Fedunin, and I. F. Shchegolev, “Mechanism of conduction in highly conductive complexes based on tetracyanoquinodimethane,” Zh. Eksp. Teor. Fiz., 59, No. 10, 1125–1132 (1970).

    Google Scholar 

  23. A. J. Epstein, S. Etemad, A. F. Garito, and A. J. Heeger, “Metal-insulator transition and antiferromagnetism in a one-dimensional organic solid,” Phys. Rev., B5, No. 3, 951–977 (1972).

    Google Scholar 

  24. A. J. Epstein, S. Etemad, A. F. Garito, and A. J. Heeger, “Metal-insulator transition in an organic solid: experimental realization of the one-dimensional Hubbard model,” Solid State Commun., 90, No. 21, 1803–1808 (1971).

    Google Scholar 

  25. N. N. Bogolyubov, Selected Works [in Russian], Vol. 2, Naukova Dumka, Kiev (1970).

    Google Scholar 

  26. S. J. Smart, Effective Field Theories of Magnetism, Sanders (1966).

  27. Z. G. Soos, “Magnetic interactions in linear chain crystals,” in: Low-Dimensional Cooperative Phenomena (ed. by H. J. Keller, Plenum, New York (1975)), pp. 45–64.

    Google Scholar 

  28. W. D. Grobman, R. A. Pollak, D. E. Eastman, E. T. Maas, and B. A. Scott, “Valence electronic structure and charge transfer in TTF-TCNQ from photoemission spectroscopy,” Phys. Rev. Lett., 32, No. 10, 534–537 (1974).

    Google Scholar 

  29. P. Coppens, “Direct evaluation of the charge transfer in the TTF-TCNQ complex at 100‡K by numerical integration of x-ray diffraction amplitudes,” Phys. Rev. Lett., 35, No. 2, 98–100 (1975).

    Google Scholar 

  30. R. Comes, S. M. Shapiro, G. Shirane, A. F. Garito, and A. J. Heeger, “Neutron-scattering study of the 38- and 54-K phase transitions in deuterated TTF-TCNQ,” Phys. Rev. Lett., 35, No. 22, 1518–1521 (1975).

    Google Scholar 

  31. T. S. Kistenmacher, T. J. Phillips, J. D. Ferraris, and D. O. Cowan, “The crystal structure of 1∶1 radical cation:radical anion salts of 2,2′-bis-1,3-dithiole (TTF) and 7,7,8,8-tetracyanoquinodimethane (TCNQ),” Acta Crystallogr., B30, No. 3, 763–768 (1974).

    Google Scholar 

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Authors and Affiliations

  1. Institute of Theoretical Physics, Academy of Sciences of the Ukrainian SSR, Kiev

    V. E. Klimenko, V. Ya. Krivnov, A. A. Ovchinnikov & I. I. Ukrainskii

  2. L. Ya. Karpov Scientific-Research Institute of Physical Chemistry, Moscow

    V. E. Klimenko, V. Ya. Krivnov, A. A. Ovchinnikov & I. I. Ukrainskii

Authors
  1. V. E. Klimenko
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  2. V. Ya. Krivnov
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  3. A. A. Ovchinnikov
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  4. I. I. Ukrainskii
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Translated from Teoreticheskaya i éksperimental'naya Khimiya, Vol. 13, No. 5, pp. 614–622, September–October, 1977.

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Klimenko, V.E., Krivnov, V.Y., Ovchinnikov, A.A. et al. Wigner crystal model for the radical ions of tetracyanoquinodimethane salts. Theor Exp Chem 13, 460–466 (1978). https://doi.org/10.1007/BF00520574

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