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Fourfold Differential Photoelectron Circular Dichroism.

K Fehre1, N M Novikovskiy2,3, S Grundmann1

  • 1Institut für Kernphysik, Goethe-Universität, Max-von-Laue-Strasse 1, Frankfurt am Main 60438, Germany.

Physical Review Letters
|September 17, 2021
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Summary
This summary is machine-generated.

This study reveals strong chiral asymmetry in photoelectron circular dichroism (PECD) for methyloxirane molecules. The findings enhance PECD

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Area of Science:

  • Physical Chemistry
  • Quantum Chemistry
  • Molecular Spectroscopy

Background:

  • Chiral molecules exhibit non-superimposable mirror images, crucial in biological systems.
  • Photoelectron Circular Dichroism (PECD) probes molecular chirality by analyzing electron emission patterns.
  • Understanding molecular orientation is key to interpreting chiral signals.

Purpose of the Study:

  • To experimentally and theoretically investigate PECD in methyloxirane.
  • To determine the molecule's orientation and photoelectron emission direction.
  • To assess the sensitivity of PECD for chiral recognition in the gas phase.

Main Methods:

  • Joint experimental and theoretical study of PECD.
  • Detection of O 1s photoelectrons in coincidence with fragment ions.
  • Ab initio electronic structure calculations.

Main Results:

  • A fourfold differential PECD exceeding 50% was achieved for methyloxirane.
  • High chiral asymmetry was experimentally observed.
  • Theoretical calculations accurately reproduced the experimental results.

Conclusions:

  • PECD is a highly sensitive technique for chiral recognition in gas-phase molecules.
  • The pronounced chiral contrast in methyloxirane validates PECD's potential.
  • Fixed-in-space chiral molecules offer enhanced PECD signals for detailed analysis.