Multiscale modeling of radical diffusion and radical reactions on interstellar ices

2021 Fiscal Year Final Research Report

• Project/Area Number: 19K03940
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Review Section: Basic Section 17010:Space and planetary sciences-related
• Research Institution: Hokkaido University
• Principal Investigator: Sameera W.M.C. 北海道大学, 低温科学研究所, 特任助教 (90791278)
• Project Period (FY): 2019-04-01 – 2022-03-31
• Keywords: Radicals on ice surfaces / Binding energy / Reaction mechanisms / DFT / QM/MM

Outline of Final Research Achievements

A range of binding energies was observed for OH radical (0.06-0.74 eV). (Phys. Rev. Lett. A, 2020, 102, 052822) OH anion on ice can be transported to ice bulk through the proton hole transfer, giving rise to a negative current (J. Phys. Chem. Lett. 2021, 12, 1, 704-710)
A range of binding energies, 0.10-050 eV, was also observed for CH3O radical on ices. (J. Phy. Chem. A, 2021, 125, 1, 387-393) Quantum chemical calculations rationalized the radical reaction mechanisms on ices; PH3 + D (Astrophys. J. 2021. 198, 73), OCS + H (Astrophys. J. 2021, 922, 146)
I have summarized the results in a review; W. M. C. Sameera et al., Astron. Space Sci. 2022. (Accepted). DOI: 10.3389/fspas.2022.890161

Free Research Field

地球惑星科学

Academic Significance and Societal Importance of the Research Achievements

Computed radical adsorption and reactions on ices are vital in understanding mechanisms of formation of complex organic molecules in interstellar medium. The project involved collaborations with the researchers in Japan and Sweden. Thus, the project would be beneficial for astrochemistry research.