A Simple Model for Chromonic Aggregation

作者: M. Walker , M. R. Wilson

DOI: 10.1080/15421406.2015.1030580

关键词:

摘要: A simple 2-dimensional model is introduced to study molecular stacking in planar-non-ionic chromonics. The allows changes aggregation, arising from interaction regions within a chromonic molecule, be quantified. Application of the typical hydrophobic core – hydrophilic corona such as triphenylene-based TP6EO2M, shows energetically preferred arrangement molecules dependent on inter-molecule separation and relative sizes triphenylene poly(ethylene-glycol) corona. Further, we show minimum aromatic size required form phases, explaining why functionalised benzene rings do not phases.

参考文章(16)
Christopher A. Hunter, Jeremy K. M. Sanders, The nature of .pi.-.pi. interactions Journal of the American Chemical Society. ,vol. 112, pp. 5525- 5534 ,(1990) , 10.1021/JA00170A016
Rhian E. Hughes, Simon P. Hart, D. Alastair Smith, Bijan Movaghar, Richard J. Bushby, Neville Boden, Exciton Dynamics in a One-Dimensional Self-Assembling Lyotropic Discotic Liquid Crystal Journal of Physical Chemistry B. ,vol. 106, pp. 6638- 6645 ,(2002) , 10.1021/JP014028O
J. Grant Hill, James A. Platts, Hans-Joachim Werner, Calculation of intermolecular interactions in the benzene dimer using coupled-cluster and local electron correlation methods Physical Chemistry Chemical Physics. ,vol. 8, pp. 4072- 4078 ,(2006) , 10.1039/B608623C
Gordon J. T. Tiddy, Donna L. Mateer, Andrew P. Ormerod, William J. Harrison, Douglas J. Edwards, Highly ordered aggregates in dilute dye-water systems Langmuir. ,vol. 11, pp. 390- 393 ,(1995) , 10.1021/LA00002A002
N. Boden, R. J. Bushby, L. Ferris, C. Hardy, F. Sixl, Designing new lyotropic amphiphilic mesogens to optimize the stability of nematic phases Liquid Crystals. ,vol. 1, pp. 109- 125 ,(1986) , 10.1080/02678298608086498
J.S.G. Cox, G.D. Woodard, W.C. McCrone, Solid-State Chemistry of Cromolyn Sodium (Disodium Cromoglycate) Journal of Pharmaceutical Sciences. ,vol. 60, pp. 1458- 1465 ,(1971) , 10.1002/JPS.2600601003
L.S. Lerman, Structural considerations in the interaction of DNA and acridines Journal of Molecular Biology. ,vol. 3, pp. 18- IN14 ,(1961) , 10.1016/S0022-2836(61)80004-1
Mutasem Omar Sinnokrot, C. David Sherrill, Highly Accurate Coupled Cluster Potential Energy Curves for the Benzene Dimer: Sandwich, T-Shaped, and Parallel-Displaced Configurations Journal of Physical Chemistry A. ,vol. 108, pp. 10200- 10207 ,(2004) , 10.1021/JP0469517
Elizabeth A. Mills, Margaret H. Regan, Vesna Stanic, Peter J. Collings, Large Assembly Formation Via A Two-Step Process In A Chromonic Liquid Crystal Journal of Physical Chemistry B. ,vol. 116, pp. 13506- 13515 ,(2012) , 10.1021/JP306135W
D. J. Edwards, J. W. Jones, O. Lozman, A. P. Ormerod, M. Sintyureva, G. J. T. Tiddy, Chromonic liquid crystal formation by Edicol Sunset Yellow. Journal of Physical Chemistry B. ,vol. 112, pp. 14628- 14636 ,(2008) , 10.1021/JP802758M