Probing molecular bond-length using molecular-frame photoelectron angular distributions

Hironobu Fukuzawa; Robert R Lucchese; Xiao-Jing Liu; Kentaro Sakai; Hiroshi Iwayama; Kiyonobu Nagaya; Katharina Kreidi; Markus S Schöffler; James R Harries; Yusuke Tamenori; Yuichiro Morishita; Isao H Suzuki; Norio Saito; Kiyoshi Ueda

doi:10.1063/1.5091946

Probing molecular bond-length using molecular-frame photoelectron angular distributions

J Chem Phys. 2019 May 7;150(17):174306. doi: 10.1063/1.5091946.

Affiliations

¹ Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577, Japan.
² Department of Physics, Kyoto University, Kyoto 606-8502, Japan.
³ Goeth-Universität Frankfurt am Main, Max-von-Laue-Str. 1, D-60438 Frankfurt, Germany.
⁴ Japan Synchrotron Radiation Research Institute, Sayo, Hyogo 679-5198, Japan.
⁵ National Metrology Institute of Japan, AIST, Tsukuba 305-8568, Japan.

PMID: 31067899
DOI: 10.1063/1.5091946

Abstract

The molecular-frame photoelectron angular distributions (MFPADs) in O 1s photoemission from CO₂ molecule were measured. Patterns due to photoelectron diffractions were observed in the MFPADs. The polarization-averaged MFPADs were compared with theoretical calculation and were found to be useful in determining the molecular bond-length, which is a component to determine molecular structures.