Chemistry Department, Lomonosov Moscow State University, 1/3 Leninskie gory, Moscow 119991, Russia.
J Phys Chem B. 2022 Apr 7;126(13):2573-2582. doi: 10.1021/acs.jpcb.1c09795. Epub 2022 Mar 23.
Quantitative determination of the molecular orientation distribution function in samples of liquid crystals with a complex director geometry was performed using the numerical simulation of electron paramagnetic resonance (EPR) spectra of the spin probes in a liquid-crystalline medium. To achieve the quantitative agreement of experimental and simulated EPR spectra, the hierarchy of the orientation order was explicitly taken into account, namely, the local ordering of liquid crystal molecules by the mean-field potential of surrounding molecules, and the partial disordering of local directors within the sample. The samples under study are planar and twist LC cells with liquid crystal 8CB cooled from the nematic into the smectic A phase in the magnetic field. The presence of the magnetic field perpendicular to the cell director leads to distortion of the orientation of the liquid crystal in the cell. The spin probe technique was successfully employed for the reliable measurement of orientation distribution functions of the low nonorthorhombic symmetry. Orientation order parameters up to 12th rank were measured, including nonaxial and nonorthorhombic order parameters. It is shown that the presence of several contradicting aligning forces leads to the tilt of the preferential director toward the direction, which is a compromise between the orienting forces.
使用电子顺磁共振(EPR)谱的数值模拟,对具有复杂指向矢几何形状的液晶样品中的分子取向分布函数进行了定量测定。为了实现实验和模拟 EPR 谱的定量一致性,明确考虑了取向有序的层次结构,即通过周围分子的平均场势对液晶分子进行局部有序化,以及在样品内局部指向矢的部分无序化。所研究的样品是具有平面和扭曲的 LC 单元,其中液晶 8CB 在磁场中从向列相冷却到近晶 A 相。垂直于单元指向矢的磁场的存在导致单元中液晶的取向发生扭曲。自旋探针技术成功地用于可靠测量低非正交对称的取向分布函数。测量了高达 12 阶的取向序参数,包括非轴向和非正交的取向序参数。结果表明,几种相互矛盾的取向力的存在导致优先取向的倾斜方向是取向力之间的折衷。