2021A&A...650A.169I

Context. Formaldehyde H₂CO was the first organic polyatomic molecule discovered in the interstellar medium to have been detected in a variety of sources. However, pathways to synthesize this molecule under interstellar conditions have yet to be discussed.
Aims. We carried out a systematic study to analyze the chemical processes that can explain the H₂CO formation mechanism toward a decamer of methanol (CH₃OH)₁₀ as target material to mimic an ice mantle bombarded by an OH⁺ cation.
Methods. We performed Born-Oppenheimer (ab initio) molecular dynamics simulations to obtain the formation mechanisms of complex organic molecules (COMs) such as formaldehyde H₂CO and its HCOH isomer.
Results. We found that CH₂OH⁺ and CH₂(OH)₂ are the main precursors to form H₂CO and HCOH. We discuss its formation mechanisms and the astrophysical implications in star-forming regions. These processes are likely relevant to the production of COMs.