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Title: Changes in site-specific shape resonances in nitrogen K-shell photoionization of N 2O induced by vibrational excitation

Abstract

The central (Nc) and terminal (Nt) nitrogen K-shell photoelectron spectra (PESs) of N 2O molecules have been measured in the σ shape resonance energy region at temperatures of ~300 and ~630 K. Estimating vibrational populations based on the Boltzmann distribution at these temperatures, PESs of vibrationally ground and bending-excited levels in the initial electronic ground state were extracted. Vibrationally integrated partial cross sections and asymmetry parameters for ionization from vibrationally ground and bending-excited levels were obtained as a function of the incident photon energy by integrating PESs over the vibrational levels of the core-hole states. In N c photoionization, the shape resonance from the bending-excited level was found to be shifted to the lower photon energy side and to become narrower than that from the ground vibrational level. In N t photoionization from the bending-excited level, the downward shift of the resonance is more significant than that in N c ionization. These experimental findings are qualitatively consistent with theoretical predictions and suggest that the shape resonance associated with the N t core hole is more sensitive to the bending angle of the initial state than is the shape resonance associated with the N c core hole. Finally, the asymmetry parametersmore » for photoionization from the bending-excited level, however, showed almost the same behavior as those from the ground vibrational level for both K-shell photoionization channels and in the photon energy range studied here.« less

Authors:
ORCiD logo [1];  [1];  [1];  [1];  [2];  [2];  [3]
  1. Sophia Univ., Tokyo (Japan). Dept. of Materials and Life Sciences
  2. Tohoku Univ., Sendai (Japan). Inst. of Multidisciplinary Research for Advanced Materials
  3. Texas A & M Univ., College Station, TX (United States). Dept. of Chemistry
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division
OSTI Identifier:
1461133
Grant/Contract Number:  
AC02-05CH11231; 23540468; SC0012198; A-1020
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physics. B, Atomic, Molecular and Optical Physics
Additional Journal Information:
Journal Volume: 51; Journal Issue: 6; Journal ID: ISSN 0953-4075
Publisher:
IOP Publishing
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; x-ray photoelectron spectroscopy; inner-shell ionization cross sections; asymmetry parameters; vibrationally excited N2O molecule; hot molecules

Citation Formats

Hoshino, M., Kato, H., Kuze, N., Tanaka, H., Fukuzawa, H., Ueda, K., and Lucchese, R. R. Changes in site-specific shape resonances in nitrogen K-shell photoionization of N2O induced by vibrational excitation. United States: N. p., 2018. Web. doi:10.1088/1361-6455/aaaeb3.
Hoshino, M., Kato, H., Kuze, N., Tanaka, H., Fukuzawa, H., Ueda, K., & Lucchese, R. R. Changes in site-specific shape resonances in nitrogen K-shell photoionization of N2O induced by vibrational excitation. United States. doi:10.1088/1361-6455/aaaeb3.
Hoshino, M., Kato, H., Kuze, N., Tanaka, H., Fukuzawa, H., Ueda, K., and Lucchese, R. R. Fri . "Changes in site-specific shape resonances in nitrogen K-shell photoionization of N2O induced by vibrational excitation". United States. doi:10.1088/1361-6455/aaaeb3. https://www.osti.gov/servlets/purl/1461133.
@article{osti_1461133,
title = {Changes in site-specific shape resonances in nitrogen K-shell photoionization of N2O induced by vibrational excitation},
author = {Hoshino, M. and Kato, H. and Kuze, N. and Tanaka, H. and Fukuzawa, H. and Ueda, K. and Lucchese, R. R.},
abstractNote = {The central (Nc) and terminal (Nt) nitrogen K-shell photoelectron spectra (PESs) of N2O molecules have been measured in the σ shape resonance energy region at temperatures of ~300 and ~630 K. Estimating vibrational populations based on the Boltzmann distribution at these temperatures, PESs of vibrationally ground and bending-excited levels in the initial electronic ground state were extracted. Vibrationally integrated partial cross sections and asymmetry parameters for ionization from vibrationally ground and bending-excited levels were obtained as a function of the incident photon energy by integrating PESs over the vibrational levels of the core-hole states. In Nc photoionization, the shape resonance from the bending-excited level was found to be shifted to the lower photon energy side and to become narrower than that from the ground vibrational level. In Nt photoionization from the bending-excited level, the downward shift of the resonance is more significant than that in Nc ionization. These experimental findings are qualitatively consistent with theoretical predictions and suggest that the shape resonance associated with the Nt core hole is more sensitive to the bending angle of the initial state than is the shape resonance associated with the Nc core hole. Finally, the asymmetry parameters for photoionization from the bending-excited level, however, showed almost the same behavior as those from the ground vibrational level for both K-shell photoionization channels and in the photon energy range studied here.},
doi = {10.1088/1361-6455/aaaeb3},
journal = {Journal of Physics. B, Atomic, Molecular and Optical Physics},
number = 6,
volume = 51,
place = {United States},
year = {2018},
month = {3}
}

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