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Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−

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Published on: July 27, 2018

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

Hironobu Fukuzawa¹, Robert R Lucchese¹, Xiao-Jing Liu¹

¹Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577, Japan.

The Journal of Chemical Physics

|May 10, 2019

Summary

Molecular-frame photoelectron angular distributions (MFPADs) reveal photoelectron diffraction patterns in CO2. These patterns aid in determining molecular bond-lengths for structural analysis.

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Area of Science:

Atomic and Molecular Physics
Quantum Chemistry
Spectroscopy

Background:

Photoelectron spectroscopy is a powerful tool for probing molecular electronic structure.
Understanding molecular structure requires precise determination of bond lengths and angles.
Photoelectron diffraction offers insights into molecular geometry.

Purpose of the Study:

To measure and analyze molecular-frame photoelectron angular distributions (MFPADs) in O 1s photoemission from CO2.
To investigate the role of photoelectron diffraction in MFPADs.
To assess the utility of MFPADs for determining molecular bond lengths.

Main Methods:

Experimental measurement of O 1s photoemission from CO2.
Analysis of molecular-frame photoelectron angular distributions (MFPADs).
Comparison of experimental MFPADs with theoretical calculations.

Main Results:

Observed distinct patterns in MFPADs attributed to photoelectron diffraction.
Demonstrated the utility of polarization-averaged MFPADs for bond-length determination.
Validated theoretical calculations against experimental data.

Conclusions:

MFPADs provide valuable information about molecular structure.
Photoelectron diffraction patterns within MFPADs are key indicators of molecular geometry.
This technique offers a pathway to precise molecular bond-length determination.