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Title: AN EXPERIMENTAL AND THEORETICAL STUDY ON THE IONIZATION ENERGIES OF POLYYNES (H-(C{identical_to}C) {sub n} -H; n = 1-9)

Abstract

We present a combined experimental and theoretical work on the ionization energies of polyacetylene-organic molecules considered as important building blocks to form polycyclic aromatic hydrocarbons in protoplanetary nebulae such as CRL 618. This set of astrophysical data can be utilized with significant confidence in future astrochemical models of photon-dominated regions and also of the protoplanetary nebulae CRL 618. We recommend ionization energies of polyacetylenes from diacetylene up to heptaacetylene with an experimental accuracy of {+-}0.05 eV: 10.03 eV (diacetylene), 9.45 eV (triacetylene), 9.08 eV (tetraacetylene), 8.75 eV (pentaacetylene), 8.65 eV (hexaacetylene), and 8.50 eV (heptaacetylene). Further, ionization energies with an accuracy of {+-}0.1 eV: 8.32 eV (octaacetylene) and 8.24 eV (nonaacetylene), were computed. Implications of these energies to the redox chemistry involved in the multiply charged metal-ion mediated chemistry of hydrocarbon-rich atmospheres of planets and their moons such as Titan are also discussed.

Authors:
 [1]; ; ;  [2];  [3]; ;  [4]
  1. Department of Chemistry, University of Hawaii at Manoa, Honolulu, HI 96822 (United States)
  2. Department of Chemistry, National Dong Hwa University, Hualien 974, Taiwan (China)
  3. Department of Chemistry and Biochemistry, Florida International University, Miami, FL 33199 (United States)
  4. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States)
Publication Date:
OSTI Identifier:
21457039
Resource Type:
Journal Article
Journal Name:
Astrophysical Journal
Additional Journal Information:
Journal Volume: 719; Journal Issue: 2; Other Information: DOI: 10.1088/0004-637X/719/2/1884; Journal ID: ISSN 0004-637X
Country of Publication:
United States
Language:
English
Subject:
79 ASTROPHYSICS, COSMOLOGY AND ASTRONOMY; ASTROPHYSICS; IONIZATION; METALS; MOON; PLANETARY ATMOSPHERES; PLANETARY NEBULAE; PLANETS; POLYACETYLENES; POLYCYCLIC AROMATIC HYDROCARBONS; PROTOPLANETS; AROMATICS; ATMOSPHERES; ELEMENTS; HYDROCARBONS; NEBULAE; ORGANIC COMPOUNDS; ORGANIC POLYMERS; PHYSICS; POLYENES; POLYMERS; SATELLITES

Citation Formats

Kaiser, Ralf I, Bianjian, Sun, Hongmao, Lin, Chang, Agnes H. H., Mebel, Alexander M, Kostko, Oleg, and Ahmed, Musahid. AN EXPERIMENTAL AND THEORETICAL STUDY ON THE IONIZATION ENERGIES OF POLYYNES (H-(C{identical_to}C) {sub n} -H; n = 1-9). United States: N. p., 2010. Web. doi:10.1088/0004-637X/719/2/1884.
Kaiser, Ralf I, Bianjian, Sun, Hongmao, Lin, Chang, Agnes H. H., Mebel, Alexander M, Kostko, Oleg, & Ahmed, Musahid. AN EXPERIMENTAL AND THEORETICAL STUDY ON THE IONIZATION ENERGIES OF POLYYNES (H-(C{identical_to}C) {sub n} -H; n = 1-9). United States. https://doi.org/10.1088/0004-637X/719/2/1884
Kaiser, Ralf I, Bianjian, Sun, Hongmao, Lin, Chang, Agnes H. H., Mebel, Alexander M, Kostko, Oleg, and Ahmed, Musahid. 2010. "AN EXPERIMENTAL AND THEORETICAL STUDY ON THE IONIZATION ENERGIES OF POLYYNES (H-(C{identical_to}C) {sub n} -H; n = 1-9)". United States. https://doi.org/10.1088/0004-637X/719/2/1884.
@article{osti_21457039,
title = {AN EXPERIMENTAL AND THEORETICAL STUDY ON THE IONIZATION ENERGIES OF POLYYNES (H-(C{identical_to}C) {sub n} -H; n = 1-9)},
author = {Kaiser, Ralf I and Bianjian, Sun and Hongmao, Lin and Chang, Agnes H. H. and Mebel, Alexander M and Kostko, Oleg and Ahmed, Musahid},
abstractNote = {We present a combined experimental and theoretical work on the ionization energies of polyacetylene-organic molecules considered as important building blocks to form polycyclic aromatic hydrocarbons in protoplanetary nebulae such as CRL 618. This set of astrophysical data can be utilized with significant confidence in future astrochemical models of photon-dominated regions and also of the protoplanetary nebulae CRL 618. We recommend ionization energies of polyacetylenes from diacetylene up to heptaacetylene with an experimental accuracy of {+-}0.05 eV: 10.03 eV (diacetylene), 9.45 eV (triacetylene), 9.08 eV (tetraacetylene), 8.75 eV (pentaacetylene), 8.65 eV (hexaacetylene), and 8.50 eV (heptaacetylene). Further, ionization energies with an accuracy of {+-}0.1 eV: 8.32 eV (octaacetylene) and 8.24 eV (nonaacetylene), were computed. Implications of these energies to the redox chemistry involved in the multiply charged metal-ion mediated chemistry of hydrocarbon-rich atmospheres of planets and their moons such as Titan are also discussed.},
doi = {10.1088/0004-637X/719/2/1884},
url = {https://www.osti.gov/biblio/21457039}, journal = {Astrophysical Journal},
issn = {0004-637X},
number = 2,
volume = 719,
place = {United States},
year = {Fri Aug 20 00:00:00 EDT 2010},
month = {Fri Aug 20 00:00:00 EDT 2010}
}