Molecular theory of dielectric relaxation in nematic dimers

Journal of Chemical Physics

Volumn 121, Issue 16, 2004, Pages 8079-8097

  Stocchero, M ^a   Ferrarini, A ^a   Moro, G J ^a   Dunmur, D A ^b   Luckhurst, G R ^b  

^a UNIVERSITY OF PADOVA   (Italy)

^b UNIVERSITY OF SOUTHAMPTON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; CORRELATION METHODS; DIELECTRIC RELAXATION; DIMERS; ELECTRON ENERGY LEVELS; FUNCTIONS; INTEGRAL EQUATIONS; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PARAFFINS; SURFACE PHENOMENA; TORQUE CONTROL;

CONFORMATIONAL DYNAMICS; CORRELATION FUNCTIONS; FOKKER-PLANCK EQUATION; FOUR-SITE MODEL;

NEMATIC LIQUID CRYSTALS;

EID: 8344288230     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1794071     Document Type: Article

References (64)

1. In Relaxation Phenomena in Dielectric, Magnetic and Superconducting Materials, edited by W. Haase and S. Wrobel (Springer, Heidelberg, Germany, 2003).
2. R. Berardi, M. Ricci, and C. Zannoni, ChemPhysChem 2, 443 (2001).
3. G. Meier and A. Saupe, Mol. Cryst. 1, 515 (1966); A. J. Martin, G. Meier, and A. Saupe, Symp. Faraday Soc. 5, 119 (1971).
4. G. Meier and A. Saupe, Mol. Cryst. 1, 515 (1966); A. J. Martin, G. Meier, and A. Saupe, Symp. Faraday Soc. 5, 119 (1971).
5. P. L. Nordio, G. Rigatti, and U. Segre, Mol. Phys. 25, 129 (1973).
6. G. Moro and P. L. Nordio, Mol. Phys. 56, 255 (1985).
7. C. J. F. Bottcher and P. Bordewijk, Theory of Electric Polarization (Elsevier, Amsterdam, 1978), Vol. 2, p. 218.
8. N. G. van Kampen, Stochastic Processes in Physics and Chemistry (North-Holland, Amsterdam, 1981).
9. S. Clough, A. Heidmann, A. J. Horsewill, A. J. Lewis, and M. N. J. Paley, J. Phys. C 14, L525 (1981); J. B. Lambert, J. Nienhius, and J. W. Keepers, Angew. Chem. 20, 487 (1981).
10. S. Clough, A. Heidmann, A. J. Horsewill, A. J. Lewis, and M. N. J. Paley, J. Phys. C 14, L525 (1981); J. B. Lambert, J. Nienhius, and J. W. Keepers, Angew. Chem. 20, 487 (1981).
11. C. T. Imrie and G. R. Luckhurst, in Handbook of Liquid Crystals, edited by D. Demus, J. W. Goodby, G. W. Gray, H. W. Spiess, and V. Vill (Wiley-VCH, Weinheim, 1998), Vol. 2B, Chap. 10.
12. J. W. Emsley, G. R. Luckhurst, G. N. Shilstone, and I. Sage, Mol. Cryst. Liq. Cryst. Lett. 102, 223 (1984).
13. J. W. Emsley, G. R. Luckhurst, and G. N. Shilstone, Mol. Phys. 53, 1023 (1984).
14. G. S. Attard, R. W. Date, C. T. Imrie, G. R. Luckhurst, S. K. Roskilly, J. M. Seddon, and L. Taylor, Liq. Cryst. 16, 529 (1994).
15. A. Ferrarini, G. R. Luckhurst, P. L. Nordio, and S. J. Roskilly, J. Chem. Phys. 100, 1460 (1994); A. Ferrarini, G. R. Luckhurst, P. L. Nordio, and S. J. Roskilly, Chem. Phys. Lett. 214, 409 (1993); A. Ferrarini, G. R. Luckhurst, P. L. Nordio, and S. J. Roskilly, Liq. Cryst. 21, 373 (1996); G. R. Luckhurst and S. Romano, J. Chem. Phys. 107, 2557 (1997).
16. A. Ferrarini, G. R. Luckhurst, P. L. Nordio, and S. J. Roskilly, J. Chem. Phys. 100, 1460 (1994); A. Ferrarini, G. R. Luckhurst, P. L. Nordio, and S. J. Roskilly, Chem. Phys. Lett. 214, 409 (1993); A. Ferrarini, G. R. Luckhurst, P. L. Nordio, and S. J. Roskilly, Liq. Cryst. 21, 373 (1996); G. R. Luckhurst and S. Romano, J. Chem. Phys. 107, 2557 (1997).
17. A. Ferrarini, G. R. Luckhurst, P. L. Nordio, and S. J. Roskilly, J. Chem. Phys. 100, 1460 (1994); A. Ferrarini, G. R. Luckhurst, P. L. Nordio, and S. J. Roskilly, Chem. Phys. Lett. 214, 409 (1993); A. Ferrarini, G. R. Luckhurst, P. L. Nordio, and S. J. Roskilly, Liq. Cryst. 21, 373 (1996); G. R. Luckhurst and S. Romano, J. Chem. Phys. 107, 2557 (1997).
18. A. Ferrarini, G. R. Luckhurst, P. L. Nordio, and S. J. Roskilly, J. Chem. Phys. 100, 1460 (1994); A. Ferrarini, G. R. Luckhurst, P. L. Nordio, and S. J. Roskilly, Chem. Phys. Lett. 214, 409 (1993); A. Ferrarini, G. R. Luckhurst, P. L. Nordio, and S. J. Roskilly, Liq. Cryst. 21, 373 (1996); G. R. Luckhurst and S. Romano, J. Chem. Phys. 107, 2557 (1997).
19. H. Furuya, S. Okamoto, A. Abe, G. Petekidis, and G. Fydas, J. Phys. Chem. 99, 6483 (1995).
20. D. Bauman, E. Wolarz, and E. Bialecka-Florjanczyk, Liq. Cryst. 26, 45 (1999).
21. D. A. Dunmur, G. R. Luckhurst, M. R. de la Fuente, S. Diez, and M. A. Perez Jubindo, J. Chem. Phys. 115, 8681 (2001).
22. C. Zannoni, in Nuclear Magnetic Resonance of Liquid Crystals, edited by J. W. Emsley (Reidel, Dordrecht, 1985), Chap. 2, p. 35.
23. P. J. Flory, Statistical Physics of Chain Molecules (Wiley, New York, 1969).
24. W. L. Matice and U. W. Suter, Conformational Theory of Large Molecules (Wiley, New York. 1994).
25. A. Abe, H. Furuya, and H. Toriumi, Macromolecules 17, 684 (1984).
26. G. Khanarian and A. E. Tonelli, J. Chem. Phys. 75, 5031 (1981).
27. F. J. Farrand, Ph.D thesis, University of Southampton, 1998.
28. A. P. J. Emerson and G. R. Luckhurst, Liq. Cryst. 10, 861 (1991).
29. N. V. Tsetkov, V. V. Zuev, I. V. Ksenofontov, and V. N. Tsetkov, Liq. Cryst. 25, 727 (1998).
30. A. Abe, H. Furuya, R. N. Shimizu, and Su Yong Nam, Macromolecules 28, 96 (1995).
31. H. Furuya, T. Dries, K. Fuhrmann, A. Abe, M. Ballhauf. and E. W. Fisher, Macromolecules 23, 4122 (1990).
32. A. Abe and Su Yong Nam, Macromolecules 28, 90 (1995).
33. A. E. Blatch, D. A. Dunmur, G. R. Luckhurst, M. R. de la Fuente, S. Diez, and M. A. Perez Jubindo (unpublished).
34. J. W. Emsley and G. R. Luckhurst, Mol. Phys. 41, 19 (1980).
35. J. C. Smith and M. Karplus, J. Am. Chem. Soc. 114, 801 (1992).
36. W. Maier and A. Saupe, Z. Naturforsch. A 14a, 882 (1959); W. Maier and A. Saupe, ibid. 15a, 287 (1960).
37. W. Maier and A. Saupe, Z. Naturforsch. A 14a, 882 (1959); W. Maier and A. Saupe, ibid. 15a, 287 (1960).
38. S. Marcelja, Biochim. Biophysica Acta 367, 165 (1974).
39. D. J. Photinos, E. T. Samulski, and H. Toriumi, J. Phys. Chem. 94, 4688 (1990); JCS Faraday Trans. 88, 1875 (1992).
40. D. J. Photinos, E. T. Samulski, and H. Toriumi, J. Phys. Chem. 94, 4688 (1990); JCS Faraday Trans. 88, 1875 (1992).
41. S. J. Picken, V. F. van Gunsteren, P. T. van Duijnen, and W. H. de Jeu, Liq. Cryst. 6, 357 (1989).
42. Such a value has been estimated from comparison of the potential of mean torque obtained for selected conformera of CB dimers by using the additive model Eq. (2.9) and the "surface tensor" model [A. Ferrarini, G. J. Moro. P. L. Nordio, and G. R. Luckhurst, Mol. Phys. 77, 1 (1992)].
43. Experimental values are not available, but the chosen values appear reasonable on the basis of the order parameters at the nematic-isotropic transition reported for the ether-linked cyanobiphenyl dimers (Refs. 11, 24, 25) and of the comparison between the transition behaviour of methylene and ether-linked (Ref. 22) cyanobiphenyl dimers (Ref. 23).
44. G. Verlogen and W. H. de Jeu, Thermotropic Liquid Crystals, Fundamentals (Springer, Berlin, 1988).
45. H. Risken, The Fokker-Planck Equation (Springer, Berlin, 1989).
46. G. Moro and J. H. Freed, in Large Scale Eigenvalue Problems, edited by J. Cullum and R. A. Willoughby (Elsevier Science, Amsterdam, 1986), p. 143.
47. W. T. Coffey, Y. T. Kalmykov, and J. T. Waldrom, The Langevin Equation (World Scientific, Singapore, 2004).
48. H. A. Kramers, Physica (Amsterdam) 7, 284 (1940).
49. J. S. Langer, Ann. Phys. Med. 54, 258 (1969).
50. P. Hanggi, P. Talkner, and M. Borkovec, Rev. Mod. Phys. 62, 251 (1990).
51. G. Moro and P. L. Nordio, Chem. Phys. Lett. 96, 192 (1983).
52. J. Skolnick and E. Helfand, J. Chem. Phys. 72, 5489 (1980); E. Helfand and J. Skolnick. ibid. 77, 5714 (1982).
53. J. Skolnick and E. Helfand, J. Chem. Phys. 72, 5489 (1980); E. Helfand and J. Skolnick. ibid. 77, 5714 (1982).
54. A. Ferrarini, G. Moro, and P. L. Nordio, Mol. Phys. 63, 225 (1988); A. Ferrarini, G. Moro, P. L. Nordio, and A. Polimeno, Chem. Phys. Lett. 151, 531 (1988).
55. A. Ferrarini, G. Moro, and P. L. Nordio, Mol. Phys. 63, 225 (1988); A. Ferrarini, G. Moro, P. L. Nordio, and A. Polimeno, Chem. Phys. Lett. 151, 531 (1988).
56. P. F. Perrin, J. Phys. Radium 5, 497 (1934).
57. G. J. Moro, J. Chem. Phys. 103, 7514 (1995).
58. BT.
59. G. J. Moro, J. Phys. Chem. 100, 16419 (1996).
60. K. Zwanzig, Nonequilibrium Statistical Mechanics (Oxford University Press, Oxford, 2001).
61. C. W. Gardiner, Handbook of Stochastic Methods (Springer, Berlin, 1990).
62. A. Ferrarini, G. R. Luckhurst, and P. L. Nordio, Mol. Phys. 85, 131 (1995).
63. N. Metropolis, A. W. Rosenbluth, M. N. Rosenblut, A. H. Teller, and E. Teller, J. Chem. Phys. 21, 1087 (1953).
64. N. R. Zare, Angular Momentum (Wiley, New York, 1987).