High-energy molecular-frame photoelectron angular distributions: a molecular 
bond-length ruler

Vela-Peréz, I.; Ota, F.; Mhamdi, A.; Tamura, Y.; Rist, J.; Melzer, N.; Uerken, S.; Nalin, G.; Anders, N.; You, D.; Kircher, M.; Janke, C.; Waitz, M.; Trinter, Florian; Guillemin, R.; Piancastelli, M. N.; Simon, M.; Davis, V. T.; Williams, J. B.; Dörner, R.; Hatada, K.; Yamazaki, K.; Fehre, K.; Demekhin, Ph. V.; Ueda, K.; Schöffler, M. S.; Jahnke, T.

doi:10.1039/d2cp05942h

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High-energy molecular-frame photoelectron angular distributions: a molecular bond-length ruler

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Trinter, Florian
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Citation

Vela-Peréz, I., Ota, F., Mhamdi, A., Tamura, Y., Rist, J., Melzer, N., et al. (2023). High-energy molecular-frame photoelectron angular distributions: a molecular bond-length ruler. Physical Chemistry Chemical Physics, 25(19), 13784-13791. doi:10.1039/d2cp05942h.

Cite as: https://hdl.handle.net/21.11116/0000-000D-2F4F-8

Abstract

We present a study on molecular-frame photoelectron angular distributions (MFPADs) of small molecules using circularly polarized synchrotron light. We find that the main forward-scattering peaks of the MFPADs are slightly tilted with respect to the molecular axis. This tilt angle is directly connected to the molecular bond length by a simple, universal formula. We apply the derived formula to several examples of MFPADs of C 1s and O 1s photoelectrons of CO, which have been measured experimentally or obtained by means of ab initio modeling. In addition, we discuss the influence of the back-scattering contribution that is superimposed over the analyzed forward-scattering peak in the case of homo-nuclear diatomic molecules such as N₂.