Isotopomer-Specific Carbon Isotope Ratio of Complex Organic Molecules in Star-Forming Cores

TL;DR

This paper develops a new astrochemical model that distinguishes isotopomer-specific carbon isotope ratios in complex organic molecules, providing insights into their formation pathways in star-forming regions.

Contribution

The study introduces an isotopomer-specific reaction network that tracks $^{13}$C placement in COMs, enhancing understanding of isotope fractionation in star-forming cores.

Findings

Carbon isotope fractionation occurs via radiolysis and thermal diffusion.

Methyl-containing COMs show distinct isotopomer ratios based on formation environment.

Isotopomer patterns can diagnose formation pathways of COMs.

Abstract

The recent observation of complex organic molecules (COMs) in interstellar ices by the James Webb Space Telescope (JWST), along with previous gas-phase detections, underscores the importance of grain surface and ice mantle chemistry in the synthesis of COMs. In this study, we investigate the formation and carbon isotope fractionation of COMs by constructing a new astrochemical reaction network that distinguishes the position of $^{13}$C within species (e.g., H$^{13}$COOCH$_3$ and HCOO$^{13}$CH$_3$ are distinguished). We take into account the position of $^{13}$C in each species in gas and solid phase chemistry. This new model allows us to resolve isotopomer-specific $^{12}$C/$^{13}$C ratios of COMs formed in the star-forming cores. We consider thermal diffusion-driven radical-radical reactions on the ice surface and non-thermal radiolysis chemistry in the bulk (surface + mantle) ice. We find that carbon isotope fractionation of the functional groups in COMs appears through both non-thermal radiolysis in cold environments and thermal diffusion in warm environments, depending on the COMs. In particular, COMs containing methyl groups show isotopomer differences in $^{12}$C/$^{13}$C ratios that reflect their formation pathways and environments. These isotopomer-resolved fractionation patterns provide a diagnostic tool to probe the origins of COMs in star-forming cores. Our results suggest that future comparisons between high-sensitivity isotopic observations and isotopomer-specific models will be helpful for constraining the relative contributions of thermal and non-thermal formation processes of COMs.