Electron-Driven Reactions in Proto-Planetary Atmospheres: Metastable Anions of Gaseous o-Benzyne

In this paper, we present an investigation into low-energy electron scattering (E < 15 eV) processes from a specific benzene-like polyatomic target such as ortho-benzyne, o-C{sub 6}H{sub 4}({sup 1}SIGMA), in order to gain a better understanding of the effects that possible low-lying metastable el...

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Bibliographic Details
Published in:The Astrophysical journal 2010-03, Vol.712 (1), p.445-452
Main Authors: Carelli, F, Sebastianelli, F, Baccarelli, I, Gianturco, F. A
Format: Article
Language:English
Subjects:
ANIONS
AROMATICS
Astronomy
ASTROPHYSICS, COSMOLOGY AND ASTRONOMY
ATMOSPHERES
BENZENE
CHARGED PARTICLES
CHEMICAL REACTIONS
Earth, ocean, space
ELECTRON ATTACHMENT
ELECTRONS
ELEMENTARY PARTICLES
ENERGY RANGE
EV RANGE
EV RANGE 10-100
Exact sciences and technology
FERMIONS
HYDROCARBONS
IONS
LEPTONS
MATTER
NUCLEAR FRAGMENTATION
NUCLEAR REACTIONS
ORGANIC COMPOUNDS
PLANETARY ATMOSPHERES
POLYCYCLIC AROMATIC HYDROCARBONS
SCATTERING
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Summary:In this paper, we present an investigation into low-energy electron scattering (E < 15 eV) processes from a specific benzene-like polyatomic target such as ortho-benzyne, o-C{sub 6}H{sub 4}({sup 1}SIGMA), in order to gain a better understanding of the effects that possible low-lying metastable electron-attachment states could have on its nuclear fragmentation dynamics. The current importance of the dynamical evolution of this molecule lies in the fact that o-C{sub 6}H{sub 4} is considered to be relevant for the circumstellar synthesis of large polycyclic aromatic hydrocarbons (PAHs), as a precursor for C{sub 6}H{sub 6} production via ion-based ring closure reaction from C{sub 2}H{sub 2}. Our parameter-free scattering calculations are performed within the molecular reference frame, where we obtain the metastable anionic states for the nuclear equilibrium configuration and further characterize the properties of such transient anions with respect to those found earlier for the benzene molecule. Our quantum studies indicate that o-C{sub 6}H{sub 4} is a more efficient producer of compact, fairly long-lived anionic intermediates than benzene itself; hence, this should more rapidly enter the chemical reaction cycles of PAHs formation, thereby disappearing from possible direct observation as a stable anion.
ISSN:0004-637X
1538-4357
DOI:10.1088/0004-637X/712/1/445