The quest for a plausible formation route of formyl cyanide in the interstellar medium: a state-of-the-art quantum-chemical and kinetic approach

Abstract

Interstellar complex organic molecules (iCOMs) are assumed to be mainly formed on dust-grain surfaces. However, neutral gas-phase reactions in the interstellar medium (ISM) can play an important role. In this paper, by investigating the reaction between aldehydes and the cyano radical, we show that both formaldehyde (CH${}_2$O) and acetaldehyde (CH${}_3$CHO) can lead to the formation of formyl cyanide (HCOCN). Owing to accurate quantum-chemical computations followed by rate constant evaluations, we have been able to suggest and validate an effective mechanism for the formation of HCOCN, one of the molecules observed in the ISM. Quite interestingly, the mechanism starting from CH${}_2$O is very effective at low temperature, while that involving CH${}_3$CHO becomes more efficient at temperatures above 200 K.

13 pages, 7 figures, ApJ: accepted for publication

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• Formation of phosphorus monoxide (PO) in the interstellar medium: insights from quantum-chemical and kinetic calculations
• Automated Exploration of Radical-Molecule Chemistry: The Case of Oxirane + CH in the ISM