Cracking the puzzle of CO2 formation on interstellar ices - Quantum chemical and kinetic study of the CO + OH → CO2 + H reaction

Open Access

Table 1

Binding energies of the CO, OH, t-HOCO, and c-HOCO admolecules at the reaction site considered in this work on the H₂O and CO clusters.

Adsorbate/surface	∆U⁽ⁱ⁾
CO/H₂O	4.64 (2335)
OH/H₂O	6.45 (3246)
CO/CO	0.73 (367)
OH/CO	2.25 (1132)
t-HOCO/H₂O	14.51 (7302)
c-HOCO/H₂O	12.30 (6190)
t-HOCO/CO	3.52 (1771)
c-HOCO/CO	2.50 (1258)

Notes.⁽ⁱ⁾ ZPVE corrected. Energies are in kcal mol⁻¹; those in parenthesis are in Kelvin.

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