| 研究領域 | 次世代アストロケミストリー：素過程理解に基づく学理の再構築 |
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| 研究課題/領域番号 |
21H05416
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| 研究種目 |
学術変革領域研究(A)
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| 配分区分 | 補助金 |
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| 審査区分 |
学術変革領域研究区分(Ⅱ)
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| 研究機関 | 北海道大学 |
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研究代表者 |
Sameera W.M.C. 北海道大学, 低温科学研究所, 外国人客員研究員 (90791278)
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| 研究期間 (年度) |
2021-09-10 – 2023-03-31
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| 研究課題ステータス |
完了 (2022年度)
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| 配分額 *注記 |
5,200千円 (直接経費: 4,000千円、間接経費: 1,200千円)
2022年度: 2,600千円 (直接経費: 2,000千円、間接経費: 600千円)
2021年度: 2,600千円 (直接経費: 2,000千円、間接経費: 600千円)
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| キーワード | quantum chemistry / radical reactions / organic molecules / interstellar medium / Radicals on ice surfaces / Binding energy / Reaction mechanisms / DFT / QM/MM / MC-AFIR / Radicals / Mechanisms / Quantum Chemistry / Computational Chemistry / Quantum Tunneling |
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| 研究開始時の研究の概要 |
Complex organic molecules (COM) have been detected in the interstellar medium (ISM). However, their origin is unknown. The fundamental building blocks of the COMs may be formed on cosmic icy dust grains in the ISM at low temperatures (e.g., 10 K), where small radical species play a crucial role. However, quantitative mechanistic details of radical adsorption, diffusion, and chemical reactions are not fully established and treated as a “black box” in the astrochemical models. Therefore, quantum chemical determination of the radical processes on icy grains become critical.
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| 研究実績の概要 |
The origin of the complex organic molecules (COMs) in the interstellar medium (ISM) is not well established. Radicals formed on interstellar dust grains play a vital role in the formation of COMs. However, behavior radicals and ions on ice dust grains are not fully rationalized. To overcome this limitation, we use quantum chemistry to study the behavior of radicals on interstellar ice.
We have explored the radical reactions on ices; CH3SH + H and CH3OH + OH. Computed reaction paths of the radical reactions on ice explained the experimentally observed products, where quantum tunneling plays a key role in achieving the reactions at low temperatures. Present studies give important mechanistic insights into the COMs formation in the ISM.
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| 現在までの達成度 (段落) |
令和4年度が最終年度であるため、記入しない。
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| 今後の研究の推進方策 |
令和4年度が最終年度であるため、記入しない。
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