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

14 pages, 8 figures, 7 tables

References in corpus (4)

• ExoMol line lists VII: The rotation-vibration spectrum of phosphine up to 1500 K
• Detection of interstellar hydrogen peroxide
• ExoMol line lists VIII: A variationally computed line list for hot formaldehyde
• Keck II Observations of Hemispherical Differences in H2O2 on Europa

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