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Photoelectron circular dichroism of a model chiral anion

Artemyev, Anton N.
Kutscher, Eric
Demekhin, Philipp V.

Photoelectron circular dichroism (PECD) in the one-photon detachment of a model chiral anionic system is studied theoretically by the single center method. The computed chiral asymmetry, characterized by the dichroic parameter β1 of up to about ±3%, is in good accord with the first experimental observations of the effect in photodetachment of 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.

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Citation
In: The Journal of Chemical Physics Volume 156 / Issue 3 (2022-01-18) , S. ; eissn:1089-7690
Collections
@article{doi:10.17170/kobra-202307218452,
  author    ={Artemyev, Anton N. and Kutscher, Eric and Demekhin, Philipp V.},
  title    ={Photoelectron circular dichroism of a model chiral anion},
  keywords ={530 and Fotoablösung and Optische Aktivität and Photoelektronenspektroskopie and Zirkulardichroismus and Chiralität },
  copyright  ={http://creativecommons.org/licenses/by/4.0/},
  language ={en},
  journal  ={The Journal of Chemical Physics},
  year   ={2022-01-18}
}