A new route for enantio-sensitive structure determination by photoelectron scattering on molecules in the gas phase
Abstract
X-ray as well as electron diffraction are powerful tools for structure determination of molecules. Studies on randomly oriented molecules in the gas-phase address cases in which molecular crystals cannot be generated or the interaction-free molecular structure is to be addressed. Such studies usually yield partial geometrical information, such as interatomic distances. Here, we present a complementary approach, which allows obtaining insight to the structure, handedness and even detailed geometrical features of molecules in the gas phase. Our approach combines Coulomb explosion imaging, the information that is encoded in the molecular frame diffraction pattern of core-shell photoelectrons and ab initio computations. Using a loop-like analysis scheme we are able to deduce specific molecular coordinates with sensitivity even to the handedness of chiral molecules and the positions of individual atoms, as, e.g., protons.
Keywords
Cite
@article{arxiv.2101.03375,
title = {A new route for enantio-sensitive structure determination by photoelectron scattering on molecules in the gas phase},
author = {K. Fehre and N. M. Novikovskiy and S. Grundmann and G. Kastirke and S. Eckart and F. Trinter and J. Rist and A. Hartung and D. Trabert and Ch. Janke and M. Pitzer and S. Zeller and F. Wiegandt and M. Weller and M. Kircher and G. Nalin and M. Hofmann and L. Ph. H. Schmidt and A. Knie and A. Hans and L. Ben Ltaief and A. Ehresmann and R. Berger and H. Fukuzawa and K. Ueda and H. Schmidt-Böcking and J. B. Williams and T. Jahnke and R. Dörner and Ph. V. Demekhin and M. S. Schöffler},
journal= {arXiv preprint arXiv:2101.03375},
year = {2023}
}
Comments
13 pages, 3 figures