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Author Aguado, Alfredo ♦ Roncero, Octavio ♦ Zanchet, Alexandre ♦ Agúndez, Marcelino ♦ Cernicharo, José
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword ASTROPHYSICS, COSMOLOGY AND ASTRONOMY ♦ ABUNDANCE ♦ ASTROPHYSICS ♦ CROSS SECTIONS ♦ DISSOCIATION ♦ HYDROCYANIC ACID ♦ INTERSTELLAR SPACE ♦ MOLECULES ♦ PHOTOLYSIS ♦ PHOTONS ♦ RENORMALIZATION ♦ SOLAR RADIATION ♦ SURFACES ♦ THREE-DIMENSIONAL CALCULATIONS ♦ ULTRAVIOLET RADIATION ♦ WAVE PACKETS ♦ WAVELENGTHS
Abstract The impact of the photodissociation of HCN and HNC isomers is analyzed in different astrophysical environments. For this purpose, the individual photodissociation cross sections of HCN and HNC isomers have been calculated in the 7–13.6 eV photon energy range for a temperature of 10 K. These calculations are based on the ab initio calculation of three-dimensional adiabatic potential energy surfaces of the 21 lower electronic states. The cross sections are then obtained using a quantum wave packet calculation of the rotational transitions needed to simulate a rotational temperature of 10 K. The cross section calculated for HCN shows significant differences with respect to the experimental one, and this is attributed to the need to consider non-adiabatic transitions. Ratios between the photodissociation rates of HCN and HNC under different ultraviolet radiation fields have been computed by renormalizing the rates to the experimental value. It is found that HNC is photodissociated faster than HCN by a factor of 2.2 for the local interstellar radiation field and 9.2 for the solar radiation field, at 1 au. We conclude that to properly describe the HNC/HCN abundance ratio in astronomical environments illuminated by an intense ultraviolet radiation field, it is necessary to use different photodissociation rates for each of the two isomers, which are obtained by integrating the product of the photodissociation cross sections and ultraviolet radiation field over the relevant wavelength range.
ISSN 0004637X
Educational Use Research
Learning Resource Type Article
Publisher Date 2017-03-20
Publisher Place United States
Journal Astrophysical Journal
Volume Number 838
Issue Number 1


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