Structures/Energetics Manipulation by High Pressure: A New Proposal "Molecular Elasticity"

2023 Fiscal Year Final Research Report

• Project/Area Number: 21K19029
• Research Category: Grant-in-Aid for Challenging Research (Exploratory)
• Allocation Type: Multi-year Fund
• Review Section: Medium-sized Section 36:Inorganic materials chemistry, energy-related chemistry, and related fields
• Research Institution: University of Hyogo
• Principal Investigator: Masaaki Abe 兵庫県立大学, 理学研究科, 教授 (90260033)
• Project Period (FY): 2021-07-09 – 2024-03-31
• Keywords: 金属錯体 / クラスター化合物 / 構造 / 発光 / 圧力

Outline of Final Research Achievements

In this study, we aimed to experimentally demonstrate molecular elasticity by observing the distortion, twisting, and void deformation of the molecular skeleton induced by the application of ultra-high pressure using a diamond anvil cell. Single crystals of d10 polynuclear clusters with flexible core structures were prepared, and powder X-ray diffraction experiments and single crystal X-ray structure analysis were carried out under high pressure. Solid-state luminescence was observed under the same conditions, and a correlation was obtained between structural distortion and luminescence piezochromism. In guest-inclusion crystals, it depends on the guest species and the orientation within the void. From the above, we found that molecular deformation under high pressure proceeds while maintaining molecular symmetry and crystal symmetry, and we succeeded in capturing the molecular distortion phenomenon at the molecular and atomic level.

Free Research Field

錯体化学

Academic Significance and Societal Importance of the Research Achievements

本研究は従来明らかではなかった金属錯体分子結晶の高圧歪み・高圧発光を始めて観測し、その分子弾性を分子・原子レベルで解析したこと、高圧印加によりどのように構造変形し、発光エネルギーに影響するか、その原理を解明し得たことに大きな学術的意義があると考える。今後、周期表のより多様な元素を活用した分子を設計・合成し、その外部刺激に基づく構造・エネルギー制御を行う際、本研究で得られた圧力操作に基づく基本原理を活用することにより、様々なセンサー・構造材料の創製・応用分野への展開など、大きな社会的インパクトに結びつく可能性があると確信する。