Selective preparation of enantiomers by laser pulses: quantum model simulation for H2POSH

作者：Fujimura Y; Gonzalez L; Hoki K; Manz J^*; Ohtsuki Y

来源：Chemical Physics Letters, 1999, 306(1-2): 1-8.

DOI：10.1016/S0009-2614(99)00440-6

This Letter presents the first quantum model simulation of the selective preparation of enantiomers by means of optimal, elliptically polarized, infrared picosecond laser pulses. The laser-driven molecular dynamics is demonstrated by the time evolution of the representative wavepacket, from the initial state which corresponds to a 50:50% racemate of two equivalent enantiomers with opposite chiralities towards the nearly 100:0% preparation of a single enantiomer. The wavepacket dynamics is based on the quantum ab initio potential energy surface and dipole functions for the torsional vibration of the hydrogen atom around the P-S molecular axis of the model system H2POSH.

• 出版日期1999-6-4