The Photodissociation of HCN and HNC: Effects on the HNC/HCN Abundance Ratio in the Interstellar Medium

The Astrophysical Journal
Alfredo AguadoJosé Cernicharo

Abstract

The impact of the photodissociation of HCN and HNC isomers is analyzed in different astrophysical environments. For this purpose, the individual photodissociation cross section 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 of considering 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 one. 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 ultrav...Continue Reading

References

Sep 7, 2001·The Astrophysical Journal·P PratapF P Schloerb
Dec 3, 2005·The Journal of Chemical Physics·Tomas González-LezanaO Roncero
Mar 5, 2008·The Journal of Chemical Physics·Kirk A PetersonHans-Joachim Werner
Feb 8, 2011·Physical Chemistry Chemical Physics : PCCP·Fabien DumouchelFrançois Lique
Apr 17, 2016·The Journal of Chemical Physics·Aurelie ChenelJosé Cernicharo

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Citations

Jan 19, 2019·Physical Chemistry Chemical Physics : PCCP·Bérenger GansJean-Christophe Loison
Sep 7, 2018·Astronomy and Astrophysics·Marcelino AgúndezJacques Le Bourlot
Aug 11, 2017·The Journal of Physical Chemistry Letters·Bérenger GansJean-Christophe Loison

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