Quantentheorie der Laserkontrolle von Enantiomer-selektiven Reaktionen

该方案的目的是发展利用圆偏振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耦合。激光场的设计应该使两个手性相反的对映体的初始外消旋混合物发生变化，在理想情况下，它应该转化为单一的对映体。这种转化可以用典型的分子波包来模拟，分子波包在激光场的驱动下从外消旋的初始态到非外消旋甚至纯对映体的终态。最佳激光场将通过德国-日本合作伙伴开发的互补技术来设计。

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.