Emergent chirality in achiral liquid crystals: insights from molecular simulation models of the behaviour of bent-core mesogens
Emergent chirality in achiral liquid crystals: insights from molecular simulation models of the behaviour of bent-core mesogens
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DOI：
10.1080/02678292.2018.1492037
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发表时间：
2018-07
期刊：
影响因子：
2.2
通讯作者：
J. Lintuvuori;G. Yu;M. Walker;M. Wilson
中科院分区：
文献类型：
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作者：
J. Lintuvuori;G. Yu;M. Walker;M. Wilson
摘要：我们利用(a) PnOPIMB系列介原的原子模型和(b)简单的粗粒度模型来研究非手性弯核液晶的行为，这些模型通过手性构象的优先选择来证明分子之间的手性自发转移。该模型解释了当掺杂非手性材料时，手性相互作用会导致大块胆甾液晶的手性增加（音高降低）的不寻常现象。我们还证明，手性相互作用足够强，可以通过优先选择瞬间手性的构象（即严格的非手性分子的纳米相分离和构象），诱导液晶相内的非手性介原的纳米相分离进入相反手性的纳米结构域。我们认为，这种不寻常的行为有助于在体相中模板化手性结构，因此，弯曲核介质的许多非凡特性，包括螺旋纳米丝和手性暗砾岩相的形成。图形抽象
ABSTRACT We report insights into the behaviour of achiral bent-core liquid crystals using (a) atomistic models of the PnOPIMB series of mesogens and (b) simple coarse-grained models that demonstrate the spontaneous transfer of chirality between molecules by preferential selection of chiral conformations. The models explain the unusual phenomena that chiral interactions can lead to an increase in chirality (decrease in pitch) of a bulk cholesteric liquid crystal when doped with an achiral material. We demonstrate also that chiral interactions are sufficiently strong to induce nanophase separation of an achiral mesogen within a liquid crystal phase, into nanodomains of opposite handedness by preferential selection of conformations that are instantaneously chiral (i.e. nanophase separation of and conformations of a molecule that is strictly achiral). We suggest that this unusual behaviour contributes to the templating of chiral structures in bulk phases and, hence, to many of the extraordinary properties of bent-core mesogens that include the formations of helical nanofilaments and the chiral dark conglomerate phase. Graphical Abstract