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Title: Study of N{sub 2}O{sub 2} by photoelectron spectroscopy of N{sub 2}O{sub 2}{sup {minus}}

Abstract

Photoelectron spectra of the N{sub 2}O{sup {minus}}{sub 2} anion, collected at {ital h}{nu}=4.657 and 5.822 eV, are presented. The spectra originate from the {ital C}{sub 2{ital v}} isomer of the anion. Vibrationally resolved progressions corresponding to transitions to several electronic states of the previously unobserved N{sub 2}O{sub 2} molecule are observed. All of the observed transitions lie above the dissociation asymptotes for N{sub 2}+O{sub 2}, NO+NO, and O+N{sub 2}O, and several lie above the N+NO{sub 2} and N{sub 2}+O+O asymptotes. {ital Ab} {ital initio} calculations have been carried out for the anion ground state and several singlet and triplet states of neutral N{sub 2}O{sub 2}. By comparing the observed spectra with Franck--Condon simulations based on these calculations, the lowest bands observed in our spectra were assigned to transitions to the {sup 3}{ital A}{sub 2} and {sup 3}{ital A}{sub 1} states ({ital C}{sub 2{ital v}} symmetry) of N{sub 2}O{sub 2}. These spectra thus represent the first experimental characterization of metastable, high energy forms of N{sub 2}O{sub 2}. Both the N{sub 2}O{sup {minus}}{sub 2} and the N{sub 2}O{sub 2} species are considered in terms of their roles as reactive intermediates in the O{sup {minus}}+N{sub 2}O and N+NO{sub 2} chemical reactions.

Authors:
;  [1]
  1. Department of Chemistry, University of California, Berkeley, Berkeley, California 94720 (United States)
Publication Date:
OSTI Identifier:
45978
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 102; Journal Issue: 18; Other Information: PBD: 8 May 1995
Country of Publication:
United States
Language:
English
Subject:
66 PHYSICS; 40 CHEMISTRY; NITROGEN OXIDES; PHOTOELECTRON SPECTROSCOPY; ANIONS; ISOMERS; RESOLUTION; VIBRATIONAL STATES; GROUND STATES; TRIPLETS; SIMULATION; FRANCK-CONDON PRINCIPLE; METASTABLE STATES; CHEMICAL REACTIONS; PRECURSOR

Citation Formats

Arnold, D W, Neumark, D M, and Chemical Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California 94720. Study of N{sub 2}O{sub 2} by photoelectron spectroscopy of N{sub 2}O{sub 2}{sup {minus}}. United States: N. p., 1995. Web. doi:10.1063/1.469097.
Arnold, D W, Neumark, D M, & Chemical Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California 94720. Study of N{sub 2}O{sub 2} by photoelectron spectroscopy of N{sub 2}O{sub 2}{sup {minus}}. United States. https://doi.org/10.1063/1.469097
Arnold, D W, Neumark, D M, and Chemical Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California 94720. Mon . "Study of N{sub 2}O{sub 2} by photoelectron spectroscopy of N{sub 2}O{sub 2}{sup {minus}}". United States. https://doi.org/10.1063/1.469097.
@article{osti_45978,
title = {Study of N{sub 2}O{sub 2} by photoelectron spectroscopy of N{sub 2}O{sub 2}{sup {minus}}},
author = {Arnold, D W and Neumark, D M and Chemical Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California 94720},
abstractNote = {Photoelectron spectra of the N{sub 2}O{sup {minus}}{sub 2} anion, collected at {ital h}{nu}=4.657 and 5.822 eV, are presented. The spectra originate from the {ital C}{sub 2{ital v}} isomer of the anion. Vibrationally resolved progressions corresponding to transitions to several electronic states of the previously unobserved N{sub 2}O{sub 2} molecule are observed. All of the observed transitions lie above the dissociation asymptotes for N{sub 2}+O{sub 2}, NO+NO, and O+N{sub 2}O, and several lie above the N+NO{sub 2} and N{sub 2}+O+O asymptotes. {ital Ab} {ital initio} calculations have been carried out for the anion ground state and several singlet and triplet states of neutral N{sub 2}O{sub 2}. By comparing the observed spectra with Franck--Condon simulations based on these calculations, the lowest bands observed in our spectra were assigned to transitions to the {sup 3}{ital A}{sub 2} and {sup 3}{ital A}{sub 1} states ({ital C}{sub 2{ital v}} symmetry) of N{sub 2}O{sub 2}. These spectra thus represent the first experimental characterization of metastable, high energy forms of N{sub 2}O{sub 2}. Both the N{sub 2}O{sup {minus}}{sub 2} and the N{sub 2}O{sub 2} species are considered in terms of their roles as reactive intermediates in the O{sup {minus}}+N{sub 2}O and N+NO{sub 2} chemical reactions.},
doi = {10.1063/1.469097},
url = {https://www.osti.gov/biblio/45978}, journal = {Journal of Chemical Physics},
number = 18,
volume = 102,
place = {United States},
year = {1995},
month = {5}
}