Methyl isocyanate CH3NCO: An important missing organic in current astrochemical networks
Liton Majumdar, Jean-Christophe Loison, Maxime Ruaud, Pierre Gratier,, Valentine Wakelam, Audrey Coutens
TL;DR
This paper investigates the formation of methyl isocyanate (CH3NCO), a significant organic molecule detected in space, using quantum chemical calculations and a gas-grain chemical model to understand its origins and abundance.
Contribution
It introduces a new chemical model for CH3NCO formation, emphasizing its ice phase origin, and compares predicted abundances with observations in protostellar environments.
Findings
CH3NCO likely forms on ice surfaces in space.
The model's predicted abundances match observations in IRAS 16293-2422.
Quantum calculations support proposed formation pathways.
Abstract
Methyl isocyanate (CH3NCO) is one of the important complex organic molecules detected on the comet 67P/Churyumov-Gerasimenko by Rosetta's Philae lander. It was also detected in hot cores around high-mass protostars along with a recent detection in the solar-type protostar IRAS 16293-2422. We propose here a gas-grain chemical model to form CH3NCO after reviewing various formation pathways with quantum chemical computations. We have used NAUTILUS 3-phase gas-grain chemical model to compare observed abundances in the IRAS 16293-2422. Our chemical model clearly indicates the ice phase origin of CH3NCO.
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