Design of Organic Switching Molecules for Next Generation High Density Organic Molecular Memory Development

2021 Fiscal Year Final Research Report

• Project/Area Number: 19K05631
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Review Section: Basic Section 35030:Organic functional materials-related
• Research Institution: Yamaguchi University
• Principal Investigator: Sumimoto Michinori 山口大学, 大学院創成科学研究科, 准教授 (40414007)
• Project Period (FY): 2019-04-01 – 2022-03-31
• Keywords: 金属フタロシアニン / スイッチング分子 / 機能性電子材料

Outline of Final Research Achievements

The purpose of our research is to “develop a switching molecule that ca switch between two moleculer structures with one molecule by heat or light”. In this study, we focus on the functional dye, metal bisphthalocyanine (MPc2) and its analogue.
In TiPc2, we carried out the reaction analysis of the thermal isomerization connecting two symmetrical structures. In TS, one of two C-C σ bond connecting two Pc rings in D2 symmetric structure are broken, to form intermediate of C2 symmetry having only one C-C σ bond. However, the TS that connects between C2 and D4d symmetry structures could not be calculated. On the other hand, TS was obtained in which the remaining C-C σ bond was cleaved while the other C-C σ bond was reformed. From these results, it is suggested that the possibility of constructing a switching molecule by introducing a substituent at a specific site of the Pc ring and breaking the symmetry.

Free Research Field

計算化学

Academic Significance and Societal Importance of the Research Achievements

「有機分子メモリ」は未だ実用化に至っておらず，実現できた場合の需要は計り知れない。本研究では，有機分子メモリの構築までは至っていないものの，その可能性を見出すまでの成果は得られた。研究過程で得られた新規構造も数種存在しており，その分子が持つ物性によっては，有機EL材料やディスプレイ用色素など応用展開の可能性も考えている。さらに本研究が進み，最終的には，新規電子材料として確立できれば，事業化および先端産業の集積のきっかけとなる可能性も高く、学術的意義のみならず社会的意義も大きい。