In this work, we have compiled gas phase enthalpies of formation for nine hydrogen-oxygen species (HxOy) and selected values for use. The compilation consists of values derived from experimental measurements, quantum chemical calculations, and evaluations. This work updates the recommended values in the NIST-JANAF (1985) and Gurvich et al (1989) thermochemical tables for seven species. For two species, HO3 and H2O3 (important in atmospheric chemistry) and not found in prior thermochemical evaluations, we also provide tables of thermochemical functions (Cp, S°, H°, and ΔfH°) as a function of temperature. In this work, we also provide supplementary data for the species consisting of zero point energies, vibrational frequencies, and ion reaction energetics.

Compilation of gas-phase enthalpies of formation for hydrogen-oxygen (HxOy) species

251st National Meeting (2016)

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