University of Illinois Urbana-Champaign

Exomolhd: Recent Progresses On Photodissociation Of Small Molecules

Pezzella, Marco

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WH08_1.pdf
6044.pdf

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https://hdl.handle.net/2142/116548

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Title
Exomolhd: Recent Progresses On Photodissociation Of Small Molecules
Author(s)
Pezzella, Marco
Contributor(s)
  • Yurchenko, Sergei N.
  • Tennyson, Jonathan
Issue Date
2022-06-22
Keyword(s)
Mini-symposium: Spectroscopy meets Chemical Dynamics
Abstract
The destruction of hot molecules by photodissociation influences the composition and dynamics of exoplanets, particularly in the presence of a UV-rich stellar environments. We compute temperature-dependent photodissociation cross sections and rates for molecules found in these atmospheres, for building a more realistic model of the planetary chemistry. The cross sections are calculated by solving the nuclear-motion Schrödinger equation as part of the ExoMol project using codes Duo, DVR3D and Exocross\footnote{Yurchenko \textit{et al} Comput Phys Commun 2016 \textbf{202} 262–275; Tennyson \textit{et al} Comput Phys Commun 2004 \textbf{163} 85-116; Yurchenko \textit{et al} A\&A 2018 \textbf{614} A131 }, using the methodology previously described\footnote{Pezzella \textit{et al} Phys. Chem. Chem. Phys. 2021 \textbf{23} 16390–16400}. Photodissociation rates are computed integrating the cross section with different stellar field models representing different star types. \\ New tools and results for HF, HCl and HCN. Cross sections and rates for the diatomics are compared with previously available data\footnote{Heays \textit{et al} A\&A 2017 \textbf{602} A105}, finding a good agreement for the interstellar medium for low temperatures. Both cross sections and rates have a dramatic temperature dependence for temperatures above 1000 K. Our results for HCN are compared with the results obtained by previous works employing the time dependent Schrödinger equation\footnote{Chenel \textit{et al} J. Chem. Phys. 2016 \textbf{144} 144306; Aguado \textit{et al} Astrophys. J. 2017 \textbf{838} 33 }.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
eng
Handle URL
https://hdl.handle.net/2142/116548
DOI
https://doi.org/10.15278/isms.2022.WH08
Copyright and License Information
Copyright 2022 held by the authors

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Abstracts & Presentations - 2022 International Symposium on Molecular Spectroscopy PRIMARY