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

Journal Article · Fri Aug 20 00:00:00 EDT 2010 · Astrophysical Journal

DOI:https://doi.org/10.1088/0004-637X/719/2/1884· OSTI ID:21457039

Kaiser, Ralf I ^[1]; Bianjian, Sun; Hongmao, Lin; Chang, Agnes H. H. ^[2]; Mebel, Alexander M ^[3]; Kostko, Oleg; Ahmed, Musahid ^[4]

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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)

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.

• OSTI ID: 21457039
• Journal Information: Astrophysical Journal, Vol. 719, Issue 2; Other Information: DOI: 10.1088/0004-637X/719/2/1884; ISSN 0004-637X
• Country of Publication: United States
• Language: English

Related Subjects

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