Theoretical and Experimental Studies on Nanostructures Based on Chiral Liquid Crystals

2022 Fiscal Year Final Research Report

• Project/Area Number: 19H02537
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Single-year Grants
• Section: 一般
• Review Section: Basic Section 28010:Nanometer-scale chemistry-related
• Research Institution: Kitasato University
• Principal Investigator: Watanabe Go 北里大学, 理学部, 准教授 (80547076)
• Co-Investigator(Kenkyū-buntansha): 吉田 純 日本大学, 文理学部, 准教授 (60585800)
• Project Period (FY): 2019-04-01 – 2023-03-31
• Keywords: 分子動力学シミュレーション / 液晶 / キラリティー / ソフトマテリアル

Outline of Final Research Achievements

In the chiral liquid crystals formed by doping the chiral molecules into the nematic liquid crystals, it is important to understand the relation between the microscopic structure of the chiral dopant molecules and the macroscopic helical structure. In this study, we revealed that the miscibility of the chiral dopant molecules with the liquid crystal solvent correlates with the diffusion coefficient of the liquid crystal molecules in chiral liquid crystals with octahedral metal complexes by a novel approach that combines computational and experimental methods. We also obtained new insights related to the structural details of the chiral columnar liquid crystals formed by the enantiopure octahedral complexes.

Free Research Field

計算化学

Academic Significance and Societal Importance of the Research Achievements

応用の可能性が多岐にわたるソフトマテリアルであるキラル液晶について、ミクロとマクロという異なる階層での物性の包括的理解という分子科学の観点から重要かつ本質的な未解決問題に、計算科学者と実験科学者が緊密に連携して取り組むという点で学術的意義は大きい。本研究で確立された基盤技術は、新規キラル触媒開発やπ共役分子の有機溶媒への溶解性予測などにも適用可能であり、合成化学から有機半導体までの基礎化学から応用化学までの幅広い分野に寄与できる。