Momentum space chemistry by the development of a technique of imaging molecular orbitals in the three dimensional form

2023 Fiscal Year Final Research Report

• Project/Area Number: 21K18926
• Research Category: Grant-in-Aid for Challenging Research (Exploratory)
• Allocation Type: Multi-year Fund
• Review Section: Medium-sized Section 32:Physical chemistry, functional solid state chemistry, and related fields
• Research Institution: Tohoku University
• Principal Investigator: Takahasi Masahiko 東北大学, 多元物質科学研究所, 教授 (80241579)
• Project Period (FY): 2021-07-09 – 2024-03-31
• Keywords: 分子軌道イメージング / 運動量空間分子分光 / 配向分子 / 電子運動量分光

Outline of Final Research Achievements

Firstly, we have developed an experimental principle for this research, through detailed analysis of the rotational wave packet created by using the pulsed laser, It is unique in its ability to increase the signal count rate by a factor of about 1000 and to prevent the velocity mismatch problem. We have then updated the time-resolved electron momentum spectroscopy (TR-EMS) apparatus. The update has been verified to be satisfactory by conducting traditional EMS experiments. Although the laser originally supposed to be used to create rotational wave packet was seriously damaged due to the big earthquake occurred in March, 2022, the alternative new one has installed in September, 2023. Since then, we have started the laser-pump and electron-probe experiments . In this way, the target goal of this research has successfully been achieved, which is to develop an experimental technique that enables one to look at individual molecular orbitals in the three-dimensional form.

Free Research Field

基礎物理化学

Academic Significance and Societal Importance of the Research Achievements

本研究により、多原子分子一般を対象として分子軌道を三次元的に見るという化学者全体の夢の一つを実現できる。これは、分子軌道は今や物質科学から生命科学に亘る自然科学の広範な分野で基盤の一つであること、また種々の近似を用いる理論計算を通じてのみしか波動関数形を窺い知ることのできない現状を考え合わせると、その波及効果は現段階では予測できないほど大きい。さらに、波動関数形に関する実験と理論の比較は、分子軌道理論の発展を促すに止まらず、化学結合や化学反応に対する理解にまで質的変化をもたらす可能性を持つ。