• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to project page

2022 Fiscal Year Annual Research Report

Quantum Chemical Determination of the Complex Organic Molecules Formation in the Interstellar Medium

Publicly Offered Research

Project AreaNext Generation Astrochemistry: Reconstruction of the Science Based on Fundamental Molecular Processes
Project/Area Number 21H05416
Research InstitutionHokkaido University

Principal Investigator

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)

Project Period (FY) 2021-09-10 – 2023-03-31
Keywordsquantum chemistry / radical reactions / organic molecules / interstellar medium
Outline of Annual Research Achievements

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.

Research Progress Status

令和4年度が最終年度であるため、記入しない。

Strategy for Future Research Activity

令和4年度が最終年度であるため、記入しない。

  • Research Products

    (8 results)

All 2023 2022

All Journal Article (3 results) (of which Int'l Joint Research: 3 results,  Peer Reviewed: 3 results,  Open Access: 3 results) Presentation (5 results) (of which Int'l Joint Research: 5 results,  Invited: 1 results)

  • [Journal Article] A systematic mechanistic survey on the reactions between OH radical and CH3OH on ice2023

    • Author(s)
      W. M. C. Sameera, A. P. Jayaweera, A. Ishibashi, H. Hidaka, Y. Oba, N. Watanabe
    • Journal Title

      Faraday Discuss.

      Volume: - Pages: 6pp

    • DOI

      10.1039/D3FD00033H

    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Surface reaction of methyl mercaptan (CH3SH) with hydrogen atoms on amorphous solid water2023

    • Author(s)
      T. Nguyen, Y. Oba, W. M. C. Sameera, K. Furuya, A. Kouchi, N. Watanabe
    • Journal Title

      Astrophys. J.

      Volume: 944 Pages: :219 (14pp)

    • DOI

      10.3847/1538-4357/acafde

    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Modelling the radical chemistry on ice surfaces: an integrated quantum chemical and experimental approach2022

    • Author(s)
      W. M. C. Sameera, B. Senevirathne, T. Nguyen, Y. Oba, A. Ishibashi, M. Tsuge, H. Hidaka, N. Watanabe
    • Journal Title

      Front. Astron. Space Sci.

      Volume: 9 Pages: 890161(7pp)

    • DOI

      10.3389/fspas.2022.890161

    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Presentation] OH radical on ice: photodesorption and reactivity from quantum chemical calculations2023

    • Author(s)
      W. M. C. Sameera, A. Miyazaki, A. Ishibashi, H. Hidaka, Y. Nakai, N. Watanabe
    • Organizer
      Symposium on Next Generation Astrochemistry
    • Int'l Joint Research
  • [Presentation] Radical binding and radical reactions on interstellar ices: a combined experimental and quantum chemical study Asia Pacific Conference of Theoretical and Computational Chemistry2023

    • Author(s)
      W. M. C. Sameera, T. Nguyen, A. Ishibashi, B. Senevirathne, Y. Oba, H. Hidaka, N. Watanabe
    • Organizer
      APATCC-10, Vietnam
    • Int'l Joint Research / Invited
  • [Presentation] Radical processes on interstellar ices: a combined experimental and quantum chemical study2023

    • Author(s)
      W. M. C. Sameera
    • Organizer
      Symposium on Next Generation Astrochemistry
    • Int'l Joint Research
  • [Presentation] Quantum chemical modelling of the radical chemistry on ice surfaces2022

    • Author(s)
      W. M. C. Sameera
    • Organizer
      Sapporo-Colombo-Gothenburg Astrochemistry meeting 2022
    • Int'l Joint Research
  • [Presentation] PyQM/MM for subtractive QM/MM calculations with the AMOEBA09 polarisable force field2022

    • Author(s)
      P. V. G. M. Rathnayake, W. M. C. Sameera, N. Watanabe
    • Organizer
      CECAM Virtual Winter School for Computational Chemistry
    • Int'l Joint Research

URL: 

Published: 2023-12-25  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi