Development of highly active homogeneous hydrogenation catalytic systems for synthesis of novel organic materials

2022 Fiscal Year Final Research Report

• Project/Area Number: 21K20530
• Research Category: Grant-in-Aid for Research Activity Start-up
• Allocation Type: Multi-year Fund
• Review Section: 0501:Physical chemistry, functional solid state chemistry, organic chemistry, polymers, organic materials, biomolecular chemistry, and related fields
• Research Institution: Nagoya University
• Principal Investigator: Noto Naoki 名古屋大学, 学際統合物質科学研究機構, 助教 (20909949)
• Project Period (FY): 2021-08-30 – 2023-03-31
• Keywords: 水素化 / カルボニル化合物 / イリジウム / 光反応 / 機械学習 / 有機光増感剤

Outline of Final Research Achievements

The goal of this project is to develop a new catalytic system for hydrogenation of organic compounds under light irradiation. Previously, a photocatalytic system for hydrogenation of various carbonyl compounds (but carboxylic acid was not compatible) under much milder conditions than conventional thermal ones was developed by using a cationic iridium complex developed in our laboratory. However, it was found that substrate scope of this system was not sufficient. Therefore, we have developed a new neutral iridium complex that could be applied to a hydrogenation system of carboxylic acids under conditions of much lower hydrogen pressure than previous systems. In addition, we have also succeeded in the development of a machine-learning method for predicting the catalytic activity of organic photosensitizers, which are essential for photoreactions.

Free Research Field

有機合成化学

Academic Significance and Societal Importance of the Research Achievements

カルボン酸類はバイオマス資源などにも豊富に含まれており、また二酸化炭素からも誘導可能であるなど、天然に豊富に存在する炭素資源であると言える。このようなカルボン酸類を燃料や医薬品等のビルディングブロックとして有用なアルコール類に変換する技術の開発は、脱石油化学を達成し、人類の発展の持続可能性を向上させる上で有用である。
また、優れた触媒や材料の開発に機械学習（AI）を取り入れることは、人的、金銭的、物質的資源を効率良く活用する上で不可欠である。本研究の成果は将来的に化学分野におけるデジタル化を促進する上で重要であると考えている。