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Title: Photodetachment spectroscopy and resonant photoelectron imaging of cryogenically cooled 1-pyrenolate

Abstract

We report an investigation of the 1-pyrenolate anion (PyO-) and the 1-pyrenoxy radical (PyO) using photodetachment spectroscopy and resonant photoelectron imaging of cryogenically-cooled anions. The electron affinity of PyO is measured to be 2.4772(4) eV (19,980 ± 3 cm-1) from high-resolution photoelectron spectroscopy. Photodetachment spectroscopy reveals a dipole-bound state (DBS) for PyO- 280 cm-1 below the detachment threshold, as well as a broad and intense valence excited state (shape resonance) 1,077 cm-1 above the detachment threshold. The shape resonance with an excitation energy of 21,055 cm-1 is due to excitation of an electron from the highest occupied molecular orbital of PyO- to its lowest unoccupied molecular orbital in the continuum. Twenty-nine vibrational levels of the DBS are observed, including twenty-seven above-threshold vibrational levels (vibrational Feshbach resonances). Twenty-seven resonant photoelectron spectra are obtained by tuning the detachment laser to the vibrational Feshbach resonances, resulting in highly non-Franck-Condon photoelectron spectra and rich vibrational information. In total, the frequencies of twenty-one vibrational modes are obtained for the PyO radical by the combination of the photodetachment and resonant photoelectron spectroscopy, including thirteen out-of-plane bending modes.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
+ Show Author Affiliations
  1. Brown Univ., Providence, RI (United States). Dept. of Chemistry
Publication Date:
Research Org.:
Brown Univ., Providence, RI (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; USDOE
OSTI Identifier:
1775306
Alternate Identifier(s):
OSTI ID: 1769215
Grant/Contract Number:  
SC0018679
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 154; Journal Issue: 9; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Qian, Chen-Hui, Zhang, Yue-Rou, Yuan, Dao-Fu, and Wang, Lai-Sheng. Photodetachment spectroscopy and resonant photoelectron imaging of cryogenically cooled 1-pyrenolate. United States: N. p., 2021. Web. doi:10.1063/5.0043932.
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Qian, Chen-Hui, Zhang, Yue-Rou, Yuan, Dao-Fu, & Wang, Lai-Sheng. Photodetachment spectroscopy and resonant photoelectron imaging of cryogenically cooled 1-pyrenolate. United States. https://doi.org/10.1063/5.0043932
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Qian, Chen-Hui, Zhang, Yue-Rou, Yuan, Dao-Fu, and Wang, Lai-Sheng. Sun . "Photodetachment spectroscopy and resonant photoelectron imaging of cryogenically cooled 1-pyrenolate". United States. https://doi.org/10.1063/5.0043932. https://www.osti.gov/servlets/purl/1775306.
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@article{osti_1775306,
title = {Photodetachment spectroscopy and resonant photoelectron imaging of cryogenically cooled 1-pyrenolate},
author = {Qian, Chen-Hui and Zhang, Yue-Rou and Yuan, Dao-Fu and Wang, Lai-Sheng},
abstractNote = {We report an investigation of the 1-pyrenolate anion (PyO-) and the 1-pyrenoxy radical (PyO) using photodetachment spectroscopy and resonant photoelectron imaging of cryogenically-cooled anions. The electron affinity of PyO is measured to be 2.4772(4) eV (19,980 ± 3 cm-1) from high-resolution photoelectron spectroscopy. Photodetachment spectroscopy reveals a dipole-bound state (DBS) for PyO- 280 cm-1 below the detachment threshold, as well as a broad and intense valence excited state (shape resonance) 1,077 cm-1 above the detachment threshold. The shape resonance with an excitation energy of 21,055 cm-1 is due to excitation of an electron from the highest occupied molecular orbital of PyO- to its lowest unoccupied molecular orbital in the continuum. Twenty-nine vibrational levels of the DBS are observed, including twenty-seven above-threshold vibrational levels (vibrational Feshbach resonances). Twenty-seven resonant photoelectron spectra are obtained by tuning the detachment laser to the vibrational Feshbach resonances, resulting in highly non-Franck-Condon photoelectron spectra and rich vibrational information. In total, the frequencies of twenty-one vibrational modes are obtained for the PyO radical by the combination of the photodetachment and resonant photoelectron spectroscopy, including thirteen out-of-plane bending modes.},
doi = {10.1063/5.0043932},
journal = {Journal of Chemical Physics},
number = 9,
volume = 154,
place = {United States},
year = {Sun Mar 07 00:00:00 EST 2021},
month = {Sun Mar 07 00:00:00 EST 2021}
}
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