ExoMol line lists XV: A new hot line list for hydrogen peroxide

Abstract

A computed line list for hydrogen peroxide, H${}_2{}^{16}$O${}_2$, applicable to temperatures up to $T=1250$~K is presented. A semi-empirical high accuracy potential energy surface is constructed and used with an {\it ab initio} dipole moment surface as input TROVE to compute 7.5 million rotational-vibrational states and around 20 billion transitions with associated Einstein-$A$ coefficients for rotational excitations up to $J=85$. The resulting APTY line list is complete for wavenumbers below 6~000 cm${}^{-1}$ ($\lambda <1.67$~$\mu$m) and temperatures up to 1250~K. Room-temperature spectra are compared with laboratory measurements and data currently available in the HITRAN database and literature. Our rms with line positions from the literature is 0.152 \cm\ and our absolute intensities agree better than 10\%. The full line list is available from the CDS databas

arXiv comment14 pages, 8 figures, 7 tables

References in corpus (12)

• ExoMol: molecular line lists for exoplanet and other atmospheres
• ExoMol line lists IV: The rotation-vibration spectrum of methane up to 1500 K
• A variationally computed line list for hot NH3
• ExoMol line lists VII: The rotation-vibration spectrum of phosphine up to 1500 K
• Temperature-dependent molecular absorption cross sections for exoplanets and other atmospheres
• Detection of interstellar hydrogen peroxide
• ExoMol line lists VIII: A variationally computed line list for hot formaldehyde
• Radiative lifetimes and cooling functions for astrophysically important molecules
• Production of interstellar hydrogen peroxide (H2O2) on the surface of dust grains
• Keck II Observations of Hemispherical Differences in H2O2 on Europa
• A near infrared line list for \NH: Analysis of a Kitt Peak spectrum after 35 years
• Variational calculation of highly excited rovibrational energy levels of H2O2

Cited by in corpus (21)

• The ExoMol database: molecular line lists for exoplanet and other hot atmospheres
• The 2020 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres
• The ExoMolOP Database: Cross-sections and k-tables for Molecules of Interest in High-Temperature Exoplanet Atmospheres
• ExoMol molecular line lists -- XXXVII: spectra of acetylene
• ExoMol molecular line lists - XXVII: spectra of C2H4
• Perspective: Accurate ro-vibrational calculations on small molecules
• Symmetry adapted ro-vibrational basis functions for variational nuclear motion calculations: TROVE approach
• The ExoMol project: Software for computing large molecular line lists
• The ExoMol Atlas of Molecular Opacities
• ExoMol molecular line lists XX: a comprehensive line list for H${}_3^{+}$
• Exoplanet atmosphere retrievals in 3D using phase curve data with ARCiS: application to WASP-43b
• A Variationally Computed IR Line List for the Methyl Radical CH${}_3$
• Data availability and requirements relevant for the Ariel space mission and other exoplanet atmosphere applications
• The NewEra model grid
• ExoMol line lists -- LIX. High-temperature line list for N${}_2$O
• H${}_2$O${}_2$-induced Greenhouse Warming on Oxidized Early Mars
• Molecular line shape parameters for exoplanetary atmospheric applications
• Characterising the Atmosphere of 55 Cancri e: 1D Forward Model Grid for Current and Future JWST Observations
• Exploring Synergies between Twinkle and Ariel: a Pilot Study
• Transformation Properties under the Operations of the Molecular Symmetry Groups $G_{36}$ and $G_{36}\text{(EM)}$ of Ethane ${\text{H}}_3{\text{CCH}}_3$
• Disentangling the molecular nature of the benchmark molecule H2O2 through many-body fragmentation dynamics