Theoretical study on elementary reaction process of interstellar molecules using quantum chemistry and molecular dynamics methods
| Project/Area Number |
16K05307
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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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| Research Field |
Astronomy
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| Research Institution | Toyo University |
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Principal Investigator |
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| Project Period (FY) |
2016-04-01 – 2021-03-31
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| Project Status |
Completed (Fiscal Year 2020)
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| Budget Amount *help |
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2019: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2018: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2017: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2016: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
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| Keywords | 計算化学 / 理論化学 / 星間分子 / 化学反応素過程 / 原子物理 / 量子化学 / 分子動力学 / 原子分子物理 |
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| Outline of Final Research Achievements |
We attempted to apply theoretical chemistry method to phenomena in the field of astronomy and astrophysics. The first target is the chemical elementary processes related to the formation of molecules on the surface of interstellar dust, because the elementary processes of relatively large interstellar organic molecules have attracted much attention both observationally and theoretically. Another target of this project is the prediction of experimental results from a theoretical chemical standpoint for non-accelerator particle physics experiments using atomic and molecular ultra-precision spectroscopy. In this study, we performed electronic structure calculations for the process of de-excitation from the electronically excited state of an atom to the ground state by the emission of a photon and a neutrino pair, and predicted the spectra to be obtained in future experiments.
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| Academic Significance and Societal Importance of the Research Achievements |
1つ目の研究対象は星間塵表面での分子生成に関わる反応素過程である。宇宙空間での化学反応を通じて複雑な有機分子、特に生命の起源に関連する分子が生成される可能性があり、関連する観測や実験などの研究が近年注目を集めている。本研究はどのようにして星間空間で単純な原子や分子からより複雑な分子が形成されるか、という過程に対する基礎的な知見を与えようとするものである。もう一つの対象は、超精密分光を用いた素粒子物理実験の実験結果の予測である。このような実験は我々の宇宙の物質・反物質の非対称性などを解明する上で重要な役割を果たすと考えられているが、本研究では実験スペクトル予測に必要な原子遷移の計算を行った。
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Report
(6 results)
Research Products
(16 results)
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[Journal Article] A Series of Layered Assemblies of Hydrogen-Bonded, Hexagonal Networks of C3-Symmetric π-Conjugated Molecules: A Potential Motif of Porous Organic Materials2016
Author(s)
I. Hisaki, S. Nakagawa, N. Ikenaka, Y. Imamura, M. Katouda, M. Tashiro, H. Tsuchida, T. Ogoshi, H. Sato, N. Tohnai, M. Miyata
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Journal Title
Journal of American Chemical Society
Volume: 印刷中
Issue: 20
Pages: 6617-6628
DOI
Related Report
Peer Reviewed / Open Access / Acknowledgement Compliant
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