Optical activity is determined from a point charge model in one enantiomorph of a chiral and semiconducting α‐TeO₂ crystal. Net atomic charges of Te and O atoms are iterated and electric moments derived. Second electric moments in the principal axis directions are calculated and their ratio is fitted by comparison with the corresponding ratio of the optical refraction indices. The components of the axial vectors are calculated and converted to the gyration tensor components. The optical rotatory power in the positive direction of the optic axis is determined, and the sense of optical rotation is defined from transformations of polar vectors of first rank of the TeO₂ groups and visually confirmed in both enantiomorphs.

中文翻译：

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296 K下α-TeO2中的净原子电荷，电矩以及旋光性的符号和大小

光学活性选自点电荷模型在手性和半导体性α-的TeO之一对映体确定₂晶体。对Te和O原子的净原子电荷进行迭代，并得出电子矩。计算主轴方向上的第二矩，并通过与相应的光学折射率比值进行比较来拟合它们的比值。计算轴向矢量的分量，并将其转换为回转张量分量。确定沿光轴正方向的旋光能力，并根据TeO ₂基团的第一级极性矢量的变换定义旋光感，并在两个对映体中目视确认。