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Angle-resolved photoelectron spectroscopy of the core levels of N_2O

Schmidbauer, M. and Kilcoyne, A. L. D. and Randall, K. J. and Feldhaus, J. and Bradshaw, A. M. and Braunstein, M. and McKoy, V. (1991) Angle-resolved photoelectron spectroscopy of the core levels of N_2O. Journal of Chemical Physics, 94 (8). pp. 5299-5305. ISSN 0021-9606. https://resolver.caltech.edu/CaltechAUTHORS:20151028-114733174

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Abstract

We have measured photoionization cross sections and photoelectron asymmetry parameters for each of the core levels of N_2O. We have also carried out frozen‐ and relaxed‐core Hartree–Fock studies of these cross sections so as to better understand the underlying shape resonant structure and the role of electronic relaxation in these processes. A broad shape resonance is observed in each of the core‐hole cross sections at 10‐20 eV kinetic energy and there is some evidence of a second shape resonance near the thresholds, an energy region which is not accessible experimentally. The cross sections also exhibit site‐specific behavior with maxima at widely separated photoelectron kinetic energies. These differences probably arise from the fact that photoelectron matrix elements for different core orbitals probe different regions of the shape resonant orbital which extends over the entire molecule. Although the higher energy shape resonances appear quite similar, Hartree–Fock studies show that the central nitrogen resonance is more sensitive to effects of electronic relaxation than the terminal nitrogen or oxygen resonances. Large differences are also seen between the photoelectron asymmetry parameters for the central and terminal atoms.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1063/1.460514DOIArticle
http://scitation.aip.org/content/aip/journal/jcp/94/8/10.1063/1.460514PublisherArticle
Alternate Title:Angle-resolved photoelectron spectroscopy of the core levels of N2O
Additional Information:© 1991 American Institute of Physics. (Received 11 December 1990; accepted 4 January 1991) We gratefully acknowledge the help of V. Schmidt who generously allowed us to extensively modify his magic angle CMA. This work has been supported by the Bundesministerium für Forschung und Technologie, Project 05 490FXB/TPI and by the National Science Foundation (CHE-8521391). We also acknowledge use of resources of the San Diego Supercomputer Center which is supported by the National Science Foundation.
Funders:
Funding AgencyGrant Number
Bundesministerium für Forschung und Technologie (BMFT)05 490FXB/TPI
NSFCHE-8521391
Issue or Number:8
Record Number:CaltechAUTHORS:20151028-114733174
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20151028-114733174
Official Citation:Angle‐resolved photoelectron spectroscopy of the core levels of N2O Schmidbauer, M. and Kilcoyne, A. L. D. and Randall, K. J. and Feldhaus, J. and Bradshaw, A. M. and Braunstein, M. and McKoy, V., The Journal of Chemical Physics, 94, 5299-5305 (1991), DOI:http://dx.doi.org/10.1063/1.460514
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:61651
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:09 Nov 2015 23:18
Last Modified:03 Oct 2019 09:10

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