Quantentheorie der Laserkontrolle von Enantiomer-selektiven Reaktionen

本文的目的是发展圆形或椭圆偏振超短激光脉冲选择性制备对映体的量子理论。该理论应应用于可以用量子化学从头算和量子动力学技术描述的简单模型系统，包括与激光场的半经典偶极子耦合。激光场的设计应使两个手性相反的对映体的初始外消旋混合物发生改变，在理想情况下，它应转化为单个对映体。这种转换应通过具有代表性的分子波包来模拟，这些分子波包在激光场的驱动下从外消旋初始状态到非外消旋甚至纯对映体的最终状态。最佳的激光场将由德日合作伙伴开发的互补技术设计。

The purpose of this proposal is to develop the quantum theory of selective preparation of enantiomers by means of circular or elliptical polarized ultrashort laser pulses. The theory shall be applied to simple model systems which can be described by quantum chemical ab initio and quantum dynamical techniques, including semiclassical dipole coupling to the laser field. The laser field should be designed such that the initial racemic mixture of two enantiomers with opposite chirality will be changed, and in the ideal case it should be converted into a single enantiomer. This conversion shall be simulated by representative molecular wave packets which are driven by the laser field from the racemic initial state to the non-racemic or even pure enantiomeric final state. Optimal laser fields will be designed by complementary techniques which have been developed by the partners of this German-Japanese cooperation.