Межмолекулярные взаимодействия в жидких кристаллах

Авторы

  • М.Е. Агельменев
  • М.Е. Агельменев

DOI:

https://doi.org/10.31489/2019No1/47-53

Ключевые слова:

жидкие кристаллы, ароматические соединения, потенциал межмолекулярного взаимодействия, моделирование

Аннотация

Проведен анализ возможных механизмов осуществления ориентационной упорядоченности в мезофазе жидких кристаллов. Показано, что бензольные кольца в структуре играют основную роль в существовании мезофазы. Фан-Флековский парамагнетизм, обусловленный кольцевыми токами в бензольных кольцах, по-видимому, является одной из причин такой упорядоченности. По-видимому, это объясняет высокую степень упорядоченности жидких кристаллов при воздействии магнитного поля. В связи с этим, межмолекулярное взаимодействие в случае стайкинга может иметь и магнитную составляющую. Предложен вид возможного потенциала межмолекулярного взаимодействия при проведении моделирования поведения ансамбля жидкокристаллических молекул. Показано, что природа упорядоченности молекул жидких кристаллов определяется межмолекулярными взаимодействиями различной природы, но по величине одного порядка.

Библиографические ссылки

"1 Ibragimov I.M., Kovshov A.N., Nazarov Yu.F. Basics of computer modeling of nanosystems. SPb.: Lan publishing house, 2010, 384 p. [in Russian]

Mark R. Wilson. Progress in computer simulations of liquid crystals. Intern. Rev. in Phys. Chem. 2005, Vol. 24, No. 3-4. pp. 421 – 455.

P. de Zhen. Physics of liquid crystals, Moscow, Mir, 1977, 400 p. [in Russian]

Chandrasekar S. Liquid crystals, Moscow, Mir, 1980, 344 p. [in Russian]

Calderer M. C., Mukherjee B. On Poiseuille flow of liquid crystals. Liquid Crystals. 1997, Vol. 22, No.2, pp.121 – 135.

Derfel G., Gajewska B. Dynamics of the field-induced twist deformation in weakly anchored nematic layers. Liquid Crystals. 1997, Vol. 22, No. 3, pp. 297 – 300.

Frunza O.S., Frunza L., Petrov M., Barbero G. Elastic model for twisted nematic textures in OOBA layers. Liquid Crystals. 1998, Vol. 24, No.2, pp.215-218.

Derfel G., Radomska B. Modelling of the simple shear flow of a flow-aligning nematic. Liquid Crystals, 1997, Vol. 23, No. 5, pp. 741 – 748.

Rudquist P., Carlsson T., Komitov L., Lagerwall S.T. The flexoelectro-optic effect in cholesterics. Liquid Crystals, 1997, Vol. 22, No. 4, pp. 445 – 449.

Billeter J.L., Pelcovits R.A. Molecular shape and flexoelectricity. Liquid Crystals, 2000, Vol. 27, No.9, pp. 1151 – 1160.

Chan P. K. Computer simulation of elongated bipolar nematic droplets II. External field aligned normal to the droplet axis of symmetry. Liquid Crystals, 2001, Vol. 28, No. 2, pp. 207 – 215.

Chan P.K. Computer simulation of elongated bipolar nematic droplets I. External field aligned parallel to the droplet axis of symmetry. Liquid Crystals, 1999, Vol. 26, No. 12, pp. 1777 – 1786.

Kini U.D. Magnetic and electric field induced periodic deformations in planar oriented nematics. Liquid Crystals, 1998, Vol. 24, No .2, pp. 177 – 199.

Le Masurier P.J., Luckhurst G.R., Saielli G. Monte Carlo lattice simulations of the elastic behaviour of nematic liquid crystals. Liquid Crystals, 2001, Vol. 28, No. 5, pp. 769 – 778.

Houjie Tu, Gerhard Goldbeck-Wood, Alan H. Windle. A tensor model of liquid crystalline polymers: application to basic disclination processes. Liquid Crystals, 2002, Vol. 29, No. 3, pp. 325-334.

Mukherjee P.K. Improved analysis of the Landau theory of the uniaxial-biaxial nematic phase transition. Liquid Crystals, 1998, Vol. 24, No. 4, pp. 519 – 523.

Kalmykov Y.P., Coffey W.T. Analytical solutions for rotational diffusion in the mean field potential: application to the theory of dielectric relaxation in nematic liquid crystals. Liquid Crystals, 1998, Vol. 25, No. 3, pp. 329 – 339.

Mottram N.J., Elston S.J. Order parameter theory of the pre-transitional behaviour in antiferroelectric liquid crystals. Liquid Crystals, 1999, Vol. 26, No.3, pp. 457 – 464.

Memmer R. Liquid crystal phases of achiral banana-shaped molecules: a computer simulation study. Liquid Crystals, 2002, Vol. 29, No. 4, pp. 483 – 496.

Glaser M.A., Clark N.A., Walba D.M., Keyes M.P., Radcliffe M.D., Snustad D.C. Mean field theory-based calculation of FLC polarization. Liquid Crystals, 2002, Vol. 29, No. 8, pp. 1073 – 1085.

Sonin A.S. Introduction to Liquid Physics, Moscow, Nauka, 1983, 320 p. [in Russian]

Pershin V.K., Pershin V.K., Zorkiy P.M. Mesophases - partial order molecular systems: structure, formation mechanisms, polymorphism. Problems of crystal chemistry, Moscow, Nauka, 1988, pp. 30 – 82. [in Russian]

Brayan R.F. Crystal Structure and Liquid Crystal. Zhurnal strukturnoy khimii - Journal of Structural Chemistry, 1982, Vol. 23, No. 1, pp. 154 - 174. [in Russian]

Agel'menev M.Ye. Inversion sign of the anisotropy of the dielectric constant of mesogenic acetylenyl-containing propargyl ethers. News of The National Academy Of Sciences of The Republic of Kazakhstan, Series Chemistry And Technology. 2002, No. 5. pp. 20 – 26. [in Russian]

Grebenkin N. F., Ivashchenko A. V. Liquid crystal materials. Moscow: Chemistry, 1989, 288 p. [in Russian]

Kitaygorodskiy A.I. Molecular crystals. Moscow, Nauka, 1971, 424 p. [in Russian]

Asano T., Moriya K., Yano S., Takatani S., Kagabu S. Liquid crystalline phase transitions of the 2-(4-alkoxybiphenyl-4-yl)-5-(4-methylphenyl)pyridines. Liquid Crystals, 1998, Vol. 25, No. 2, pp. 263 – 266.

Filippov S.K., Kolomiets I.P., Sokolova O.S., Antonov E.A., Zorin I.M., Bilibin A.Yu. Preliminary communication - The effect of a substituent in the central ring on the liquid crystalline properties of di (4-alkoxycarbonylphenyl) terephthalates. Liquid Crystals, 1998, Vol. 24, No. 5, pp. 787 – 791.

Van Vleck J.H. The Theory of Electric and Magnetic Susceptibilities. The International series of monographs on physics. Oxford: Oxford University Press, 1932, 384 p.

de Zhe V. Physical Properties of Liquid Crystal Substances, Moscow, Mir, 1982, 152 p. [in Russian]

Grineva O.V., Zorkiy P.M. The energy of intermolecular interaction in crystals of chlorine-containing organic compounds. Journal of Physical Chemistry. 1998, Vol. 72, No. 4, pp. 714 - 720. [in Russian]

Stolov, A.A., Remizov, A.B. Conformational equilibria in aromatic media: the benzene effect. Journal of Physical Chemistry, 1995, Vol. 69, No. 3, pp.563-566. [in Russian]

Hiroto Tachikawa, Ryoshu Iura, Hiroshi Kawabata. Water-accelerated π-Stacking Reaction in Benzene Cluster Cation. Scientific reports. 2019, Issue 9, pp. 2377. doi.org/10.1038/s41598-019-39319-7

Ashwathanarayana Gowda, Sandeep Kumar. Recent Advances in Discotic Liquid Crystal-Assisted Nanoparticles. Materials. 2018, Vol.11, pp. 382 – 397. doi:10.3390/ma11030382

Whitesides G. M.; Grzybowski B., Self-assembly at all scales. Science. 2002, 295, pp. 2418 - 2421.

Goodby J. W., Saez I. M., Cowling S.J., Gasowska J.S., MacDonald R.A., Sia S., Wats P., Toyne K.J., Hird M., Lewis R.A., Lee S.E., Vaschenko V. Molecular complexity and the control of self-organising processes. Liquid Crystals. 2009. Vol.36, pp. 567 – 605.

Kumar S., Chemistry of discotic liquid crystals: from monomers to polymers. CRC Press: Boca Raton, 2011, 519p.

Suhana Mohd Said, Mohamad Syafie Mahmood, Mohammad Noh Daud, Mohd Faizul Mohd Sabri, Nor Asrina Sairi. Structure-electronics relations of discotic liquid crystals from a molecular modelling perspective. Liquid Crystals, 2016. doi:10.1080/02678292.2016.1209792.

Boden N, Bushby RJ, Clements J., et al. Device applications of charge transport in discotic liquid crystals. J.Mater Chem. 1999, V9, pp. 2081–2086. doi:10.1039/a903005k.

Oaro Zh. Diamagnetic susceptibility and delocalization of electrons. Localization and delocalization in quantum chemistry, Moscow, Mir, 1978, pp. 306 – 325. [in Russian]

Dashevskiy V.G. Conformations of organic molecules, Moscow: Khimiya, 1974, 432p. [in Russian]

Zorkiy P.M., Zorkaya O.N., Lanshina L.V. Orthogonal contacts of benzene cycles: a special type of specific intermolecular interactions. Journal of Physical Chemistry, 1995, V.36, №5, pp. 775-789. [in Russian]

Dorfman Ya.G. Diamagnetism and chemical bonding. Moscow, 1961, 232 p. [in Russian]

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Как цитировать

Агельменев M., & Агельменев M. (2019). Межмолекулярные взаимодействия в жидких кристаллах. Eurasian Physical Technical Journal, 16(1(31), 47–53. https://doi.org/10.31489/2019No1/47-53

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