TTF-TCNE a charge transfer π-molecular crystal with partial ionic ground state: Optical properties and electron-molecular vibrations interaction

Journal of Chemical Physics

Volumn 105, Issue 2, 1996, Pages 397-407

  Meneghetti, M ^a   Pecile, C ^a  

^a UNIVERSITY OF PADOVA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; ELECTRONIC STRUCTURE; ELECTRONS; FREQUENCIES; INFRARED SPECTROSCOPY; MATHEMATICAL MODELS; MOLECULAR VIBRATIONS; OPTICAL PROPERTIES; POLYCRYSTALLINE MATERIALS; RAMAN SCATTERING; RESONANCE;

ELECTRON MOLECULAR INTERACTIONS; GROUND STATE; HOLSTEIN HUBBARD MODEL; TETRACYANOETHYLENE; TETRATHIAFULVALENE;

AROMATIC COMPOUNDS;

EID: 0030575257     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.471916     Document Type: Article

References (40)

1. H. Endres, Extended Linear Chain Compounds (Plenum, New York, 1983), Vol. 3, p. 263.
2. S. Hünig and P. Erk, Adv. Mater. 3, 225 (1991).
3. J. S. Miller, A. J. Epstein, and W. M. Reiff, Ace. Chem. Res. 21, 114 (1988).
4. W. Kaim and M. Moscherosch, Coord. Chem. Rev. 129, 157 (1994).
5. J. S. Miller, J. C. Calabrese, D. A. Dixon, A. J. Epstein, R. W. Bigelow, J. H. Zhang, and W. M. Reiff, J. Am. Chem. Soc. 109 769 (1987);
6. S. Chittipeddi, K. R. Cromack, J. S. Miller, and A. J. Epstein, Phys. Rev. Lett. 22, 2695 (1987).
7. J. S. Miller and A. J. Epstein, Mol. Cryst. Liq. Cryst. 228, 99 (1993).
8. J. S. Miller, J. C. Calabrese, R. Scott McLean, and A. J. Epstein, Adv. Mater. 4, 498 (1992).
9. J. S. Miller, C. Vazquez, J. C. Calabrese, R. Scott McLean, and A. J. Miller, Adv. Mater. 6, 217 (1994).
10. D. A. Dixon and J. S. Miller, J. Am. Chem. Soc. 109, 3656 (1987).
11. J. S. Chappell, A. N. Bloch, W. A. Bryden, M. Maxfield, T. O. Poehler, and D. O. Cowan, J. Am. Chem. Soc. 103, 2442 (1981).
12. M. Meneghetti, R. Bozio, and C. Pecile, Synth. Metals 19, 451 (1987);
13. M. Meneghetti, R. Bozio, C. Bellitto, and C. Pecile, J. Chem. Phys. 89, 2704 (1988).
14. R. Bozio and C. Pecile, in Spectroscopy of Advanced Materials, edited by R. J. H. Clark and R. E. Hester (Wiley Chirchester, 1991), Vol. 19, p. 1.
15. M. Meneghetti and C. Pecile, Phys. Rev. B 40, 12187 (1989).
16. J. S. Miller and D. A. Dixon, Science 235, 871 (1987).
17. R. C. Wheland, J. Am. Chem. Soc. 98, 3916, 3926 (1976).
18. D. A. Clemente and C. Pecile, Mol. Cryst. Liq. Cryst. 121, 397 (1985);
19. A. Ciccarese, D. A. Clemente, A. Marzotto, and C. Pecile, Microsc. Microanal. Microstruct. 6, 545 (1995);
20. D. A. Clemente and A. Marzotto (unpublished).
21. R. Bozio, A. Girlando, and C. Pecile, Chem. Phys. Lett. 52, 503 (1977).
22. S. Flandrois, K. Ludolf, H. J. Keller, D. Nöthe, S. R. Bondeson, Z. G. Soos, and D. Wehe, Mol. Cryst. Liq. Cryst. 95, 149 (1983).
23. K. H. Michaelian, K. E. Rieckhoff, and E. M. Voigt, J. Mol. Spectrosc. 95, l (1982).
24. R. Bozio, I. Zanon, A. Girlando, and C. Pecile, J. Chem. Phys. 71, 2282 (1979).
25. (a) F. A. Miller, O. Sala, P. Devlin, J. Overend, E. Lippert, W. Lüder, H. Moser, and J. Varchmin, Spectrosc. Acta 20, 1233 (1964);
26. (b) T. Takenaka and S. Hayashi, Bull. Chem. Soc. Jpn. 37, 1216 (1964);
27. J. J. Hinkel and J. P. Devlin, J. Chem. Phys. 58, 4750 (1973);
28. (d) D. L. Jeanmaire, M. R. Suchanski, and R. P. Van Duyne, J. Am. Chem. Soc. 97, 1699 (1975);
29. (e) K. H. Michaelian, K. E. Rieckhoff, and E. M. Voigt, Spectrosc. Lett. 10, 99 (1977);
30. (t) K. W. Hipps and R. D. Poshusta, J. Phys. Chem. 86, 4112 (1982);
31. (g) S. Matsuzaki, T. Mitsuishi, and K. Toyoda, Chem. Phys. Lett. 91, 296 (1982);
32. (h) D. A. Dixon and J. S. Miller, J. Am. Chem. Soc. 109, 3656 (1987);
33. (i) F. Markel, N. S. Ferris, I. R. Gould, and A. B. Myers, ibid. 114, 6208 (1992).
34. G. C. Pimentel and A. L. McClellan, J. Chem. Phys. 20, 270 (1952).
35. A. Girlando, R. Bozio, C. Pecile, and J. B. Torrance, Phys. Rev. B 26, 2306 (1982).
36. M. J. Rice, Solid State Commun. 31, 93 (1979).
37. R. Bozio and C. Pecile, in The Physics and Chemistry of Low Dimensional Solids, edited by L. Alcacer (Reidel, Dordrecht, 1980), p. 165.
38. A. Girlando, F. Marzola, and C. Pecile, J. Chem. Phys. 79, 1075 (1983).
39. A. Painelli, A. Girlando, and C. Pecile, Solid State Commun. 52, 801 (1984).
40. Small differences are calculated by using the DAAD or the ADDA models.