| Project/Area Number |
19K03940
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Review Section |
Basic Section 17010:Space and planetary sciences-related
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| Research Institution | Hokkaido University |
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Principal Investigator |
Sameera W.M.C. 北海道大学, 低温科学研究所, 特任助教 (90791278)
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| Project Period (FY) |
2019-04-01 – 2022-03-31
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| Project Status |
Completed (Fiscal Year 2021)
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| Budget Amount *help |
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2021: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2020: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2019: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
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| Keywords | Radicals on ice surfaces / Binding energy / Reaction mechanisms / DFT / QM/MM / Interstellar medium / Radical species / QM/MM methods / astrochemistry / radical diffusion |
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| Outline of Research at the Start |
Calculations of diffusion rates of radicals and reaction barriers of radical reactions on interstellar ices play a key role in establishing the mechanisms for complex molecules formation in the interstellar medium. In this direction, for the first time, I combine quantum chemistry and scientific computing to study interstellar radical species diffusion and reactions on ice in broad sense.
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| 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
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| 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.
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