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Advances in the Atomic-Scale Modeling of Nanosystems and Nanostructured Materials pp 99–122Cite as

Molecular Dynamics Simulations of Liquid-Crystalline Dendritic Architectures

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Part of the book series: Lecture Notes in Physics ((LNP,volume 795))

Abstract

We report here a few examples of the self-organization behaviour of some novel materials based on liquid-crystalline dendritic architectures. The original design of the molecules imposes the use of all-atomic methods to model correctly every intra- and intermolecular effects. The selected materials are octopus dendrimers with block anisotropic side-arms, segmented amphiphilic block codendrimers, multicore and star-shaped oligomers, and multi-functionalized manganese clusters. The molecular organization in lamellar or columnar phases occurs due to soft/rigid parts self-recognition, hydrogen-bonding networks or from the molecular shape intrinsically.

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References

  1. D. Astruc, C. R. Acad. Sci. Ser. II Paris 322, 757 (1996).

    CAS  Google Scholar 

  2. U. Boas and M. H. Heegaard, Chem. Soc. Rev. 33, 43 (2004).

    Article  CAS  PubMed  Google Scholar 

  3. G. R. Newkome, C. N. Moorefield, and F. Vögtle, Dendrimers and Dendrons: Concepts, Synthesis and Applications (Wiley & Sons, Weinheim, 2001).

    Book  Google Scholar 

  4. J. M. J. Fréchet and D. A. Tomalia (eds.), Dendrimers and Other Dendritic Polymers, Wiley Series in Polymer Science (Wiley& Sons, Chichester, 2001).

    Google Scholar 

  5. D. Demus, J. W. Goodby, G. W. Gray, H. -W. Spiess, and V. Vill (eds.) Handbook of Liquid Crystals (Wiley-VCH, Weinheim, 1998).

    Google Scholar 

  6. T. Kato, N. Mizoshita, and K. Kishimoto, Angew. Chem. Int. Ed. 45, 38 (2006).

    Article  CAS  Google Scholar 

  7. J. W. Goodby, I. M. Saez, S. J. Cowling, V. Görtz, M. Draper, A. W. Hall, S. Sia, G. Cosquer, S.-E. Lee, and E. P. Raynes, Angew. Chem. Int. Ed. 47, 2754 (2008).

    Article  CAS  Google Scholar 

  8. S. A. Ponomarenko, N. I. Boiko, and V. P. Shibaev, Polym. Sci. C 43, 1 (2001).

    Google Scholar 

  9. D. Guillon and R. Descheneaux, Curr. Opin. Solid State Mater. Sci. 6, 515 (2002).

    Article  CAS  Google Scholar 

  10. M. Marcos, A. Omenat, and J.-L. Serrano, C. R. Chim. 6, 947 (2003).

    Article  CAS  Google Scholar 

  11. J. Barberá, B. Donnio, L. Gehringer, D. Guillon, M. Marcos, A Omenat, and J.-L. Serrano, J. Mater. Chem. 15, 4093 (2005).

    Article  CAS  Google Scholar 

  12. B. Donnio and D. Guillon, Adv. Polym. Sci. 201, 45 (2006).

    Article  CAS  Google Scholar 

  13. B. Donnio, S. Buathong, I. Bury, and D. Guillon, Chem. Soc. Rev. 36, 1495 (2007).

    Article  CAS  PubMed  Google Scholar 

  14. M. Marcos, R. Martin-Rapun, A. Omenat, and J.-L. Serrano, Chem. Soc. Rev. 36, 1889 (2007).

    Article  CAS  PubMed  Google Scholar 

  15. M. R. Wilson, J. M. Ilnytskyi, L. M. Stimson, and Z. E. Hughes, Computer simulations of liquid crystal polymers and dendrimers. Computer Simulations of Liquid Crystals and Polymers, eds. P. Pasini, C. Zannoni, and S. Zŭmer (Kluwer, The Netherlands, 2004), pp. 57–78.

    Google Scholar 

  16. C. M. Care and D. J. Cleaver, Rep. Prog. Phys. 68, 2665 (2005).

    Article  CAS  ADS  Google Scholar 

  17. M. R. Wilson, Int. Rev. Phys. Chem. 24, 421 (2005).

    Article  CAS  Google Scholar 

  18. M. R. Wilson, Chem. Soc. Rev. 36, 1881 (2007).

    Article  CAS  PubMed  Google Scholar 

  19. J. G. Gay and B. J. Berne, J. Chem. Phys. 74, 3316 (1981).

    Article  CAS  ADS  Google Scholar 

  20. R. D. Groot and P. B. Warren, J. Chem. Phys. 107, 4423 (1997).

    Article  CAS  ADS  Google Scholar 

  21. B. Glettner, F. Liu, X. Zeng, M. Prehm, U. Baumeister, M. Walker, M. A. Bates, P. Boesecke, G. Ungar, and C. Tschierske, Angew. Chem. Int. Ed. 47, 9063 (2008).

    Article  CAS  Google Scholar 

  22. C. Zannoni, AIP Conf. Proc. 963, 520 (2007).

    Article  CAS  ADS  Google Scholar 

  23. M. R. Wilson, J. M. Ilnytskyi, and L. M. Stimson, J. Chem. Phys. 119, 3509 (2003).

    Article  CAS  ADS  Google Scholar 

  24. D. L. Cheung, S. J. Clark, and M. R. Wilson, Chem. Phys. Lett. 356, 140 (2002).

    Article  CAS  ADS  Google Scholar 

  25. D. L. Cheung, S. J. Clark, and M. R. Wilson, J. Chem. Phys. 121, 9131 (2004).

    Article  CAS  PubMed  ADS  Google Scholar 

  26. J. Pelaez and M. R. Wilson, Phys. Rev. Lett. 97, 267801 (2006).

    Article  PubMed  ADS  CAS  Google Scholar 

  27. D. L. Cheung, S. J. Clark, and M. R. Wilson, Phys. Rev. E 65, 051709 (2002).

    Article  CAS  ADS  Google Scholar 

  28. R. Berardi, L. Muccioli, and C. Zannoni, ChemPhysChem 5, 104 (2004).

    Article  CAS  PubMed  Google Scholar 

  29. I. Cacelli, L. De Gaetani, G. Prampolini, and A. Tani, J. Phys. Chem. B 111, 2130 (2007).

    Article  CAS  PubMed  Google Scholar 

  30. A. J. McDonald and S. Hanna, J. Chem. Phys. 124, 164906 (2006).

    Article  PubMed  ADS  CAS  Google Scholar 

  31. G. Tiberio, L. Muccioli, R. Berardi, and C. Zannoni, ChemPhysChem 10, 125 (2009).

    Article  CAS  PubMed  Google Scholar 

  32. L. Gehringer, C. Bourgogne, D. Guillon, and B. Donnio, J. Am. Chem. Soc. 126, 3856 (2004).

    Article  CAS  PubMed  Google Scholar 

  33. J. Barberá, M. Marcos, and J. L. Serrano, Chem. Eur. J. 5, 1834 (1999).

    Article  Google Scholar 

  34. M. Marcos, R. Giménez, J. L. Serrano, B. Donnio, B. Heinrich, and D. Guillon, Chem. Eur. J. 7, 1006 (2001).

    Article  CAS  Google Scholar 

  35. B. Donnio, J. Barberá, R. Giménez, D. Guillon, M. Marcos, and J. L. Serrano, Macromoelcules 35, 370 (2002).

    Article  CAS  ADS  Google Scholar 

  36. L. Gehringer, D. Guillon, and B. Donnio, Macromolecules 36, 5593 (2003).

    Article  CAS  ADS  Google Scholar 

  37. J. Malthête, H. T. Nguyen, and C. Destrade, Liq. Cryst. 13, 171 (1993).

    Article  Google Scholar 

  38. H. T. Nguyen, C. Destrade, J. Malthête, Adv. Mater. 9, 375 (1997).

    Article  CAS  Google Scholar 

  39. D. Fazio, C. Mongin, B. Donnio, Y. Galerne, D. Guillon, and D. W. Bruce, J. Mater. Chem. 11, 2852 (2001).

    Article  CAS  Google Scholar 

  40. V. Percec, C. M. Mitchell, W. D. Cho, S. Uchida, M. Glodde, G. Ungar, X. Zeng, Y. Liu, V. S. K. Balagurusamy, and P. A. Heiney, J. Am. Chem. Soc. 126, 6078 (2004) and references there in.

    Article  CAS  PubMed  Google Scholar 

  41. C. J. Hawker, K. L. Wooley, and J. M. J. Fréchet, J. Chem. Soc. Perkin Trans. 1 1287 (1993).

    Article  Google Scholar 

  42. D. J. Pesak and J. S. Moore, Tetrahedron 53, 15331 (1997).

    Article  CAS  Google Scholar 

  43. E. R. Gillies and J. M. J. Fréchet, J. Am. Chem. Soc. 124, 14137 (2002).

    Article  CAS  PubMed  Google Scholar 

  44. K. Aoi, K. Itoh, and M. Okada, Macromolecules 30, 8072 (1997).

    Article  CAS  ADS  Google Scholar 

  45. Y. Pan and W. T. Ford, Macromolecules 32, 5468 (1999).

    Article  CAS  ADS  Google Scholar 

  46. Y. Pan and W. T. Ford, Macromolecules 33, 3731 (2000).

    Article  CAS  ADS  Google Scholar 

  47. I. M. Saez and J. W. Goodby, J. Mater. Chem. 15, 26 (2005).

    Article  CAS  Google Scholar 

  48. J. Ropponen, S. Nummelin, and K. Rissanen, Org. Lett. 6, 2495 (2004).

    Article  CAS  PubMed  Google Scholar 

  49. I. Bury, B. Heinrich, C. Bourgogne, D. Guillon, and B. Donnio, Chem. Eur. J. 12, 8396 (2006).

    Article  CAS  Google Scholar 

  50. J. M. Seddon, Biochim. Biophys. Acta 1031, 1 (1990).

    CAS  PubMed  Google Scholar 

  51. K. Borisch, C. Tschierske, P. Göring, and S. Diele, Chem. Commun. 2711 (1998).

    Google Scholar 

  52. S. Fischer, H. Fischer, S. Diele, G. Pelzl, K. Jankowski, R. R. Schmidt, and V. Vill, Liq. Cryst. 17, 855 (1994).

    Article  CAS  Google Scholar 

  53. A. N. Cammidge, R. J. Bushby, Handbook of Liquid Crystals, vol. 2B, Chap. VII, (Wiley-VCH, Weinheim, 1998), pp. 693–748.

    Book  Google Scholar 

  54. S. Kumar, Chem. Soc. Rev. 35, 83 (2006).

    Article  CAS  PubMed  Google Scholar 

  55. K. Kawata, Chem. Rec. 2, 59 (2002).

    Article  CAS  PubMed  MathSciNet  Google Scholar 

  56. A. M. van de Craats and J. M. Warman, Adv. Mater. 13, 130 (2001).

    Article  Google Scholar 

  57. N. Boden, B. Movaghar, Handbook of Liquid Crystals, vol. 2B, Chap. IX (Wiley-VCH, Weinheim, 1998), pp. 781–798.

    Book  Google Scholar 

  58. M. D. Watson, A. Fechtenkötter, and K. Müllen, Chem. Rev. 101, 1267 (2001).

    Article  CAS  PubMed  Google Scholar 

  59. R. J. Bushby and O. R. Lozman, Curr. Opin. Sol. State Mater. Sci. 6, 569 (2002).

    Article  CAS  Google Scholar 

  60. S. Laschat, A. Baro, N. Steinke, F. Giesselmann, C. Hügele, G. Scalia, R. Judele, E. Kapatsina, S. Sauer, A. Schreivogel, and M. Tosoni, Angew. Chem. Int. Ed. 46, 4832 (2007).

    Article  CAS  Google Scholar 

  61. S. Sergeyev, W. Pisula, and Y. H. Geerts, Chem. Soc. Rev. 36, 1902 (2007).

    Article  CAS  PubMed  Google Scholar 

  62. A. M. van de Craats, J. M. Warman, K. Müllen, Y. Geerts, and J. D. Brand, Adv. Mater. 10, 36 (1998).

    Article  Google Scholar 

  63. R. J. Bushby and O. R. Lozman, Curr. Opin. Colloid. Interface Sci. 7, 343 (2002).

    Article  CAS  Google Scholar 

  64. S. Kumar, Liq. Cryst. 32, 1089 (2005).

    Article  CAS  Google Scholar 

  65. A. Zelcer, B. Donnio, C. Bourgogne, F. D. Cukiernik, and D. Guillon, Chem. Mater. 19, 1992 (2007).

    Article  CAS  Google Scholar 

  66. R. Winpenny (ed.), Single-Molecule Magnets and Related Phenomena, Structure and Bonding, vol. 122 (Springer-Verlag, Berlin, 2006).

    Google Scholar 

  67. S. Osa, T. Kido, N. Matsumoto, N. Re, A. Pochaba, and J. Mrozinski, J. Am. Chem. Soc. 126, 420 (2004).

    Article  CAS  PubMed  Google Scholar 

  68. C. M. Zaleski, E. C. Depperman, J. W. Kampf, M. L. Kirk, and V. L. Pecoraro, Angew. Chem. Int. Ed. 43, 3912 (2004).

    Article  CAS  Google Scholar 

  69. R. E. P. Winpenny, J. Chem. Soc., Dalton Trans. 1 (2002).

    Google Scholar 

  70. R. Sessoli, Mol. Cryst. Liq. Cryst. 274, 145 (1995).

    Article  Google Scholar 

  71. D. Gatteschi, R. Sessoli, and A. Cornia, Chem. Commun. 725 (2000).

    Google Scholar 

  72. D. Gatteschi and R. Sessoli, Angew. Chem. Int. Ed. 42, 268 (2003), and references therein.

    Article  CAS  Google Scholar 

  73. O. Roubeau and R. Clérac, Eur. J. Inorg. Chem. 4325 (2008).

    Google Scholar 

  74. G. Aromí, S. M. J. Aubin, M. A. Bolcar, G. Christou, H. J. Eppley, K. Folting, D. N. Hendrickson, J. C. Huffman, R. C. Squire, H.-L. Tsai, S. Wang, and M. W. Wemple, Polyhedron 17, 3005 (1998).

    Article  Google Scholar 

  75. E. K. Brechin, Chem. Commun. 5141 (2005).

    Google Scholar 

  76. C. J. Milios, S. Piligkos, and E. K. Brechin, Dalton Trans. 1809 (2008).

    Google Scholar 

  77. E. Terazzi, C. Bourgogne, R. Welter, J.-L. Gallani, D. Guillon, G. Rogez, and B. Donnio, Angew. Chem. Int. Ed. 47, 490 (2008).

    Article  CAS  Google Scholar 

  78. N. Tirelli, F. Cardullo, T. Habicher, U. W. Suter, and F. Diederich, J. Chem. Soc., Perkin Trans. 2, 193 (2000).

    Google Scholar 

  79. R. Deschenaux, B. Donnio, and D. Guillon, New J. Chem. 31, 1064 (2007).

    Article  CAS  Google Scholar 

  80. T. Cardinaels, K. Driesen, T. N. Parac-Vogt, B. Heinrich, C. Bourgogne, D. Guillon, B. Donnio, and K. Binnemans, Chem. Mater. 17, 6589 (2005).

    Article  CAS  Google Scholar 

  81. I. Aprahamian, T. Yasuda, T. Ikeda, S. Saha, W. R. Dichtel, K. Isoda, T. Kato, and J. F. Stoddart, Angew. Chem. Int. Ed. 46, 4675 (2007).

    Article  CAS  Google Scholar 

  82. E. D. Baranoff, J. Voignier, T. Y., V. Heitz, J.-P. Sauvage, and T. Kato, Angew. Chem. Int. Ed. 46, 4680 (2007).

    Google Scholar 

  83. B. Chen, X. B. Zeng, U. Baumeister, S. Diele, G. Ungar, and C. Tschierske, Angew. Chem. Int. Ed. 43, 4621 (2004).

    Article  CAS  Google Scholar 

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Authors and Affiliations

  1. Institut de Physique et Chimie des Matériaux de Strasbourg UMR 7504 (CNRS-UDS), 23 rue du Loess, BP 43, 67034, Strasbourg Cedex, France

    C. Bourgogne, I. Bury, L. Gehringer, E. Terazzi, B. Donnio & D. Guillon

  2. INQUIMAE, Departamento de Química Inorgánica, Analítica y Química Física Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires Pab. II, Ciudad Universitaria, C1428EHA, Buenos Aires, Argentina

    A. Zelcer & F. Cukiernik

Authors
  1. C. Bourgogne
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  2. I. Bury
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  3. L. Gehringer
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  4. A. Zelcer
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  5. F. Cukiernik
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  6. E. Terazzi
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  7. B. Donnio
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  8. D. Guillon
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Corresponding authors

Correspondence to E. Terazzi , B. Donnio or D. Guillon .

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Editors and Affiliations

  1. CNRS-UMR 7504, Université Strasbourg, rue du Loess 22, Strasbourg CX 2, 67034, France

    Carlo Massobrio

  2. CNRS-UMR 7504, Université Strasbourg, rue du Loess 22, Strasbourg CX 2, 67034, France

    Hervé Bulou

  3. CNRS-UMR 7504, Université Strasbourg, rue du Loess 22, Strasbourg CX 2, 67034, France

    Christine Goyhenex

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Bourgogne, C. et al. (2010). Molecular Dynamics Simulations of Liquid-Crystalline Dendritic Architectures. In: Massobrio, C., Bulou, H., Goyhenex, C. (eds) Advances in the Atomic-Scale Modeling of Nanosystems and Nanostructured Materials. Lecture Notes in Physics, vol 795. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-04650-6_4

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  • DOI: https://doi.org/10.1007/978-3-642-04650-6_4

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