中心分子手性的几何和代数方法:四面体分子的手性指数和Aufbau描述
Geometrical and Algebraic Approach to Central Molecular Chirality: a Chirality Index and an Aufbau Description of Tetrahedral Molecules
摘要:
在经验Fischer投影的基础上,我们发展了一种计算四面体分子中心手性的代数方法。这样一个代数的元素是由一个手征四面体在S和R绝对构型中所能生成的24个投影得到的。它们构成O(4)正交群的矩阵表示。根据这种表示,给定具有n个手性中心的分子,可以定义手性指数,其中n是分子的立体中心的数量,p是在四面体分子与其镜像的旋转和叠加下观察到的排列的数量。手性指数不仅可以确定一个四面体链的整体手性,而且还可以预测新化合物的相同性质,并且可以一致地建立
英文摘要:
On the basis of empirical Fischer projections, we developed an algebraic approach to central molecular chirality of tetrahedral molecules. The elements of such an algebra are obtained from the 24 projections which a single chiral tetrahedron can generate in S and R absolute configurations. They constitute a matrix representation of the O(4) orthogonal group. According to this representation, given a molecule with n chiral centres, it is possible to define an index of chirality, where n is the number of stereogenic centres of the molecule and p the number of permutations observed under rotations and superimpositions of the tetrahedral molecule to its mirror image. The chirality index, not only assigns the global chirality of a given tetrahedral chain, but indicates also a way to predict the same property for new compounds, which can be consistently built up
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