二面角
手性(物理)
位阻效应
分子
张量(固有定义)
缩放比例
转动惯量
计算化学
材料科学
螺旋轴
液晶
结晶学
分子物理学
化学物理
化学
物理
经典力学
几何学
立体化学
数学
光学
手征异常
量子力学
有机化学
氢键
Nambu–Jona Lasinio模型
费米子
作者
Maureen P. Neal,Miklos Solymosi,Mark R. Wilson,David J. Earl
摘要
Chirality of optically active liquid crystal molecules has become an important research topic and the subject of a number of theoretical and experimental studies. We present here the results of the application of a newly developed scaling method of a chiral index to a range of chiral molecules. Good agreement is found between the scaled chiral index and the helical twisting power for relatively rigid molecules. Two flexible TADDOL (α,α,α′,α′-tetraaryl-1,3-dioxolan-4,5dimethanol) molecules are studied to determine which conformations may give rise to their high experimental helical twisting powers. A variety of links between the moment of inertia tensor, the dihedral angles, the scaled chiral indices, the minimum energy of the optimized geometry and the experimental helical twisting power are discussed. The scaled chiral and steric indices and dihedral angles are promising as predictors of experimental helical twisting power, in particular for relatively rigid molecules, in cases where all the relevant interactions are determined by the molecular structure.
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