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

This Letter presents the first quantum model simulation of the selective pr eparation of enantiomers by means of optimal, elliptically polarized, infra red picosecond laser pulses. The laser-driven molecular dynamics is demonst rated by the time evolution of the representative wavepacket, from the init ial state which corresponds to a 50:50% racemate of two equivalent enantiom ers with opposite chiralities towards the nearly 100:0% preparation of a si ngle enantiomer. The wavepacket dynamics is based on the quantum ab initio potential energy surface and dipole functions for the torsional vibration o f the hydrogen atom around the P-S molecular axis of the model system H2POS H. (C) 1999 Elsevier Science B.V. All nights reserved.