Photoelectron Circular Dichroism of a Model Anionic System
arXiv:2111.10795 · doi:10.1063/5.0079723
Abstract
Photoelectron circular dichroism in the one-photon detachment of a model methane-like chiral anionic system is studied theoretically by the single center method. The computed chiral asymmetry, characterized by the dichroic parameter of up to about , is in a qualitative agreement with very recent experimental observations on photodetachment in amino acid anions [P. Krüger and K.-M. Weitzel, Angew. Chem. Int. Ed. 60, 17861 (2021)]. Our findings confirm a general assumption that the magnitude of PECD is governed by the ability of an outgoing photoelectron wave packet to accumulate characteristic chiral asymmetry from the short-range part of the molecular potential.
2 figs