2015 年 73 巻 2 号 p. 119-130
Our main research aims include development of innovative chemical reactions, and design and creation of new functional molecules. We are conducting fundamental and applied research in these areas not only by means of experimental approaches based on synthetic organic chemistry, elements chemistry, and spectroscopy, but also from a theoretical viewpoint based on computational chemistry. We understand that rational and accurate designs of new reactions and novel materials based only on past experiences are often difficult because excellent estimates of transition state structures, reactive intermediates and functions by means of experimental techniques are almost impossible. For example, catalytic reactions and multicomponent reactions (MCRs) that chemically combine three or more molecules into a new product are faster and generate less waste, making them invaluable in efforts to improve efficiency and sustainability; however, a full understanding of those processes has eluded researchers because its multipart workings are difficult to detect experimentally. We believes a dual approach combining the benefits of theoretical and experimental chemistry should be encouraged: an approach that will result in breakthrough synthetic processes and functional molecules, use fewer chemicals and be more cost effective.