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

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

doi:10.1039/D2CP05942H

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

I. Vela-Peréz,^a F. Ota,

^b A. Mhamdi,^c Y. Tamura,

^b J. Rist,^a N. Melzer,

^a S. Uerken,^a G. Nalin,

^a N. Anders,^a D. You,

^d M. Kircher,

^a C. Janke,^a M. Waitz,^a F. Trinter,

*^ef R. Guillemin,

^g M. N. Piancastelli,

^g M. Simon,

^g V. T. Davis,

^h J. B. Williams,^h R. Dörner,^a K. Hatada,

^b K. Yamazaki,ⁱ K. Fehre,^a Ph. V. Demekhin,

*^c K. Ueda,^dj M. S. Schöffler

^a and T. Jahnke

*^k

Author affiliations

* Corresponding authors

^a Institut für Kernphysik, Goethe-Universität, Max-von-Laue-Straße 1, 60438 Frankfurt am Main, Germany

^b Department of Physics, University of Toyama, Toyama 930-8555, Gofuku 3190, Japan

^c Institut für Physik und CINSaT, Universität Kassel, Heinrich-Plett-Straße 40, 34132 Kassel, Germany
E-mail: demekhin@physik.uni-kassel.de

^d Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577, Japan

^e Deutsches Elektronen-Synchrotron (DESY), Notkestraße 85, 22607 Hamburg, Germany

^f Molecular Physics, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany
E-mail: trinter@fhi-berlin.mpg.de

^g Sorbonne Université CNRS, Laboratoire de Chimie Physique-Matiere et Rayonnement, LCPMR, F-75005, Paris, France

^h Department of Physics, University of Nevada, Reno, Nevada 89557, USA

ⁱ RIKEN Center for Advanced Photonics, RIKEN, 2-1 Hirosawa, Wako, Saitama, Japan

^j Department of Chemistry, Tohoku University, 6-3 Aramaki Aza-Aoba, Aoba-ku, Sendai 980-8578, Japan

^k European XFEL, Holzkoppel 4, 22869 Schenefeld, Germany
E-mail: till.jahnke@xfel.eu

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.

Physical Chemistry Chemical Physics

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

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

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