University of Illinois Urbana-Champaign

Photoelectron Spectroscopic Study On Dipole-bound States: Intramolecular Electric Field Induced Electronic Correlation

Yuan, Daofu

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WA02_1.pdf
6114.pdf

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https://hdl.handle.net/2142/116607

Description

Title
Photoelectron Spectroscopic Study On Dipole-bound States: Intramolecular Electric Field Induced Electronic Correlation
Author(s)
Yuan, Daofu
Contributor(s)
  • Wang, Lai-Sheng
  • Zhang, Yue-Rou
Issue Date
2022-06-22
Keyword(s)
Mini-symposium: Spectroscopy meets Chemical Dynamics
Abstract
Polar molecules with sufficiently large dipole moments can form highly diffuse dipole-bound anions. Dipole-bound anions possess noncovalent dipole-bound states (DBSs) just below the detachment threshold by the long-range electron-dipole interaction. The diffuse electron in a DBS is spatially well separated from the valence electrons and is known to have negligible effects on the DBS’s molecular structure. Electron correlation effects between the distant dipole-bound electron and the valence electrons of the neutral cores are known to be important for the accurate calculation of the binding energies of the dipole-bound electron. However, how the oriented intramolecular electric field of the dipole-bound electron influences the valence electrons has not been examined. We present the observation of a DBS in deprotonated 4-(2-phenylethynyl)-phenoxide anions. The photodetachment of the dipole-bound electron is observed to accompany a simultaneous shakeup process in valence orbitals in this aromatic molecular anion. This shakeup process is due to configuration mixing as a result of valence orbital polarization by the intramolecular electric field of the dipole-bound electron.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
eng
Handle URL
https://hdl.handle.net/2142/116607
DOI
https://doi.org/10.15278/isms.2022.WA02
Copyright and License Information
Copyright 2022 held by the authors

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Abstracts & Presentations - 2022 International Symposium on Molecular Spectroscopy PRIMARY