首页> 外文期刊>The Journal of Chemical Physics >Theory of a two-step enantiomeric purification of racemic mixtures by optical means: The D_2S_2 molecule
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Theory of a two-step enantiomeric purification of racemic mixtures by optical means: The D_2S_2 molecule

机译:通过光学手段对消旋混合物进行两步对映体纯化的理论:D_2S_2分子

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摘要

We present an optical "enantio-purification switch" that turns in two steps a racemic mixture of left-handed and right-handed chiral molecules into a pure sample containing the enantiomer of interest.The optical switch is composed of an "enantio discriminator" and an "enantio converter" actig in tandem. The method is robust, insensitive to decay processes, and does not require molecular preorientation. We demonstrate the method for the nanosecond purification of a reacemate of (transiently chiral) D_2S_2 molecules. The energies of the rovibrational states and the related dipole elements are obtained by ab initio calculations.
机译:我们提出了一种光学“对映体纯化开关”,它可以通过两步将左旋和右旋手性分子的外消旋混合物变成含有目标对映体的纯样品。光学开关由“对映体鉴别器”和串联的“ enantio转换器” actig。该方法是鲁棒的,对衰变过程不敏感,并且不需要分子预取向。我们证明了纳秒级的(暂时手性)D_2S_2分子的aceaceate纯化方法。振动状态的能量和相关的偶极子元素是通过从头算来获得的。

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